Responsive image

Common name

N,3,5-trimethyl-N-propan-2-ylbenzamide

IUPAC name

N,3,5-trimethyl-N-propan-2-ylbenzamide

SMILES

CN(C(C)C)C(=O)c1cc(cc(c1)C)C

Common name

N,3,5-trimethyl-N-propan-2-ylbenzamide

IUPAC name

N,3,5-trimethyl-N-propan-2-ylbenzamide

SMILES

CN(C(C)C)C(=O)c1cc(cc(c1)C)C

INCHI

InChI=1S/C13H19NO/c1-9(2)14(5)13(15)12-7-10(3)6-11(4)8-12/h6-9H,1-5H3

FORMULA

C13H19NO

Responsive image

Common name

N,3,5-trimethyl-N-propan-2-ylbenzamide

IUPAC name

N,3,5-trimethyl-N-propan-2-ylbenzamide





Molecular weight

205.296

clogP

2.838

clogS

-3.219

Frequency

0.0003





HBond Acceptor

1

HBond Donor

0

Total Polar
Surface Area

20.31

Number of Rings

1

Rotatable Bond

3

Drug ID Common name Structure CAS Compound class Therapeutic area
FDBD02355 benzipram Responsive image Herbicide Herbicide
1 , 1
FRAGNAME PDBID SIMILIRITY XSCORE SMILE HAC
3n7h_ligand.mol2 3n7h 0.97561 -8.40 c1(cc(ccc1)C)C(=O)N(CC)CC 15
3n7h_ligand_2_0.mol2 3n7h 0.97561 -7.91 C(C)NC(=O)c1cc(ccc1)C 12
3n7h_ligand_2_1.mol2 3n7h 0.97561 -7.90 C(C)NC(=O)c1cc(ccc1)C 12
4zip_ligand_3_329.mol2 4zip 0.97561 -7.18 CCNC(=O)c1cc(ccc1)C 12
2qmg_ligand_3_25.mol2 2qmg 0.97561 -6.80 C(=O)(NCC)c1cc(ccc1)C 12
2qmd_ligand_3_16.mol2 2qmd 0.97561 -6.78 CCNC(=O)c1cc(ccc1)C 12
3cid_ligand_3_14.mol2 3cid 0.97561 -6.77 N(C(=O)c1cccc(c1)C)CC 12
2iqg_ligand_3_3.mol2 2iqg 0.97561 -6.75 CCNC(=O)c1cccc(c1)C 12
157 , 16