Responsive image

Common name

N',N',3,3-tetramethylbutanehydrazide

IUPAC name

N',N',3,3-tetramethylbutanehydrazide

SMILES

CN(C)NC(=O)CC(C)(C)C

Common name

N',N',3,3-tetramethylbutanehydrazide

IUPAC name

N',N',3,3-tetramethylbutanehydrazide

SMILES

CN(C)NC(=O)CC(C)(C)C

INCHI

InChI=1S/C8H18N2O/c1-8(2,3)6-7(11)9-10(4)5/h6H2,1-5H3,(H,9,11)

FORMULA

C8H18N2O

Responsive image

Common name

N',N',3,3-tetramethylbutanehydrazide

IUPAC name

N',N',3,3-tetramethylbutanehydrazide





Molecular weight

158.241

clogP

0.135

clogS

-1.594

Frequency

0.0003





HBond Acceptor

2

HBond Donor

1

Total Polar
Surface Area

32.34

Number of Rings

0

Rotatable Bond

3

Drug ID Common name Structure CAS Compound class Therapeutic area
FDBD00923 Atazanavir Responsive image Anti-HIV Agents; Protease Inhibitors; HIV Protease Inhibitors; Antiinfectives for Systemic Use; Direct Acting Antivirals; Antivirals for Systemic Use; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2C9 Inducers; CYP3A4 Inhibitors; Combined Inhibitors of CYP3A4 and P-glycoprotein; Used in combination with other antiretroviral agents for the treatment of HIV-1 infection, as well as postexposure prophylaxis of HIV infection in individuals who have had occupational or nonoccupational exposure to potentially infectious body fluids of a person known to be infected with HIV when that exposure represents a substantial risk for HIV transmission.
1 , 1
FRAGNAME PDBID SIMILIRITY XSCORE SMILE HAC
2cem_ligand_5_740.mol2 2cem 1 -6.76 C[NH+](NC(=O)CC(C)(C)C)C 11
2cen_ligand_5_740.mol2 2cen 1 -6.76 C[NH+](NC(=O)CC(C)(C)C)C 11
2wkz_ligand_5_1220.mol2 2wkz 1 -6.76 [NH+](C)(NC(=O)CC(C)(C)C)C 11
2wl0_ligand_5_1220.mol2 2wl0 1 -6.74 C[NH+](NC(=O)CC(C)(C)C)C 11
2uxz_ligand_5_1275.mol2 2uxz 1 -6.71 C(C)(C)(C)CC(=O)N[NH+](C)C 11
2xye_ligand_5_4277.mol2 2xye 1 -6.71 C[NH+](C)NC(=O)CC(C)(C)C 11
2o4k_ligand_5_4312.mol2 2o4k 1 -6.66 N(C(=O)CC(C)(C)C)[NH+](C)C 11
2xyf_ligand_5_4320.mol2 2xyf 1 -6.65 [NH+](C)(C)NC(=O)CC(C)(C)C 11
115 , 12