Responsive image

Common name

N-(2-cyclohexylethyl)formamide

IUPAC name

N-(2-cyclohexylethyl)formamide

SMILES

O=CNCCC1CCCCC1

Common name

N-(2-cyclohexylethyl)formamide

IUPAC name

N-(2-cyclohexylethyl)formamide

SMILES

O=CNCCC1CCCCC1

INCHI

InChI=1S/C9H17NO/c11-8-10-7-6-9-4-2-1-3-5-9/h8-9H,1-7H2,(H,10,11)

FORMULA

C9H17NO

Responsive image

Common name

N-(2-cyclohexylethyl)formamide

IUPAC name

N-(2-cyclohexylethyl)formamide





Molecular weight

155.237

clogP

1.963

clogS

-2.111

Frequency

0.0003





HBond Acceptor

1

HBond Donor

1

Total Polar
Surface Area

29.1

Number of Rings

1

Rotatable Bond

3

Drug ID Common name Structure CAS Compound class Therapeutic area
FDBD00100 Remikiren Responsive image Cardiovascular System; Agents Acting on the Renin-Angiotensin System; Renin-Inhibitors; For the treatment of hypertension and heart failure.
1 , 1
FRAGNAME PDBID SIMILIRITY XSCORE SMILE HAC
1b3h_ligand_3_281.mol2 1b3h 1 -7.06 C(C1CCCCC1)CNC=O 11
3d91_ligand_3_546.mol2 3d91 1 -7.02 C1(CCCCC1)CCNC=O 11
1fq8_ligand_3_436.mol2 1fq8 1 -6.94 C(=O)NCCC1CCCCC1 11
1fq6_ligand_3_421.mol2 1fq6 1 -6.87 C(=O)NCCC1CCCCC1 11
1bil_ligand_3_504.mol2 1bil 1 -6.86 C(=O)NCCC1CCCCC1 11
1fq7_ligand_3_733.mol2 1fq7 1 -6.86 C(CNC=O)C1CCCCC1 11
1hrn_ligand_3_420.mol2 1hrn 1 -6.86 C1(CCCCC1)CCNC=O 11
1epq_ligand_3_371.mol2 1epq 1 -6.84 C1(CCCCC1)CCNC=O 11
4r92_ligand_2_16.mol2 4r92 1 -6.79 C[C@@H]1C[C@H](NC=O)CCC1 10
1bim_ligand_3_219.mol2 1bim 1 -6.78 C(=O)NCCC1CCCCC1 11
119 , 12