N-(4-aminocyclohexyl)-3-[1-(cyclohexylmethyl)indol-3-yl]-4-(3-methylphenyl)butanamide;hydrochloride

C32H44ClN3O — CID 162460029

IUPACN-(4-aminocyclohexyl)-3-[1-(cyclohexylmethyl)indol-3-yl]-4-(3-methylphenyl)butanamide;hydrochloride
SMILESCc1cccc(CC(CC(=O)NC2CCC(N)CC2)c2cn(CC3CCCCC3)c3ccccc23)c1.Cl
InChIInChI=1S/C32H43N3O.ClH/c1-23-8-7-11-25(18-23)19-26(20-32(36)34-28-16-14-27(33)15-17-28)30-22-35(21-24-9-3-2-4-10-24)31-13-6-5-12-29(30)31;/h5-8,11-13,18,22,24,26-28H,2-4,9-10,14-17,19-21,33H2,1H3,(H,34,36);1H
InChIKeyPSBJZYJSZXKPEF-UHFFFAOYSA-N
MW522.18 g/mol
LogP7.05
Rot. Bonds8

About N-(4-aminocyclohexyl)-3-[1-(cyclohexylmethyl)indol-3-yl]-4-(3-methylphenyl)butanamide;hydrochloride

N-(4-aminocyclohexyl)-3-[1-(cyclohexylmethyl)indol-3-yl]-4-(3-methylphenyl)butanamide;hydrochloride (PubChem CID 162460029) has the molecular formula C32H44ClN3O and a molecular weight of 522.18 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)-3-[1-(cyclohexylmethyl)indol-3-yl]-4-(3-methylphenyl)butanamide;hydrochloride.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)-3-[1-(cyclohexylmethyl)indol-3-yl]-4-(3-methylphenyl)butanamide;hydrochloride
PubChem CID162460029
Molecular FormulaC32H44ClN3O
Molecular Weight522.18 g/mol
Exact Mass521.32
IUPAC NameN-(4-aminocyclohexyl)-3-[1-(cyclohexylmethyl)indol-3-yl]-4-(3-methylphenyl)butanamide;hydrochloride
SMILESCc1cccc(CC(CC(=O)NC2CCC(N)CC2)c2cn(CC3CCCCC3)c3ccccc23)c1.Cl
InChIInChI=1S/C32H43N3O.ClH/c1-23-8-7-11-25(18-23)19-26(20-32(36)34-28-16-14-27(33)15-17-28)30-22-35(21-24-9-3-2-4-10-24)31-13-6-5-12-29(30)31;/h5-8,11-13,18,22,24,26-28H,2-4,9-10,14-17,19-21,33H2,1H3,(H,34,36);1H
InChIKeyPSBJZYJSZXKPEF-UHFFFAOYSA-N
XLogP7.05
TPSA60.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.18
LogP ≤ 57.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(4-aminocyclohexyl)-3-[1-(cyclohexylmethyl)indol-3-yl]-4-(3-methylphenyl)butanamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[[3-[1-(cyclohexylmethyl)indol-3-yl]-3-(3-methylphenyl)propanoyl]amino]-N-hydroxycyclohexane-1-carboxamide;hydrochloride
CID 166691488
3-[1-(cyclopentylmethyl)indol-3-yl]-3-(3-methylphenyl)-N-piperidin-4-ylpropanamide
CID 142579389
N-(4-aminocyclohexyl)-3-[5-cyano-1-(cyclohexylmethyl)indol-3-yl]-3-(3-methylphenyl)propanamide;hydrochloride
CID 162459873
3-[1-(cyclohexylmethyl)indol-3-yl]-N-[4-[2-(hydroxyamino)-2-oxoethyl]cyclohexyl]-3-(3-methylphenyl)propanamide
CID 142579603
N-(4-aminocyclohexyl)-3-[1-(cyclohexylmethyl)-5-pyridin-4-ylindol-3-yl]-3-(3-methylphenyl)propanamide;hydrochloride
CID 166691495
N-(4-aminocyclohexyl)-3-[1-(cyclohexylmethyl)indol-3-yl]-3-[3-(trifluoromethyl)phenyl]propanamide
CID 166691579
N-(4-aminocyclohexyl)-3-[1-(cyclohexylmethyl)indol-3-yl]-3-isoquinolin-4-ylpropanamide
CID 149471860
5-(4-aminocyclohexyl)-1-[1-(cyclohexylmethyl)indol-3-yl]-1-(3-methylphenyl)pentan-3-one;hydrochloride
CID 158883705
N-(4-aminocyclohexyl)-3-[1-(cyclohexylmethyl)indol-3-yl]-3-quinolin-3-ylpropanamide
CID 162460048
N-(4-aminocyclohexyl)-3-[5-[C-(2-aminoethenyl)-N-methylcarbonimidoyl]-1-(cyclohexylmethyl)indol-3-yl]-3-(3-methylphenyl)propanamide
CID 142579439
3-[5-bromo-1-(cyclohexylmethyl)indol-3-yl]-3-(3-methylphenyl)-N-piperidin-4-ylpropanamide;hydrochloride
CID 157211612
N-(4-aminocyclohexyl)-2-(3-methylphenyl)acetamide
CID 62387693

Frequently Asked Questions

What is the IUPAC name of N-(4-aminocyclohexyl)-3-[1-(cyclohexylmethyl)indol-3-yl]-4-(3-methylphenyl)butanamide;hydrochloride?
The IUPAC name of N-(4-aminocyclohexyl)-3-[1-(cyclohexylmethyl)indol-3-yl]-4-(3-methylphenyl)butanamide;hydrochloride (CID 162460029) is N-(4-aminocyclohexyl)-3-[1-(cyclohexylmethyl)indol-3-yl]-4-(3-methylphenyl)butanamide;hydrochloride.
What is the SMILES notation for N-(4-aminocyclohexyl)-3-[1-(cyclohexylmethyl)indol-3-yl]-4-(3-methylphenyl)butanamide;hydrochloride?
The canonical SMILES for N-(4-aminocyclohexyl)-3-[1-(cyclohexylmethyl)indol-3-yl]-4-(3-methylphenyl)butanamide;hydrochloride is Cc1cccc(CC(CC(=O)NC2CCC(N)CC2)c2cn(CC3CCCCC3)c3ccccc23)c1.Cl.
What is the InChIKey of N-(4-aminocyclohexyl)-3-[1-(cyclohexylmethyl)indol-3-yl]-4-(3-methylphenyl)butanamide;hydrochloride?
The InChIKey is PSBJZYJSZXKPEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H43N3O.ClH/c1-23-8-7-11-25(18-23)19-26(20-32(36)34-28-16-14-27(33)15-17-28)30-22-35(21-24-9-3-2-4-10-24)31-13-6-5-12-29(30)31;/h5-8,11-13,18,22,24,26-28H,2-4,9-10,14-17,19-21,33H2,1H3,(H,34,36);1H.
What are the key properties of N-(4-aminocyclohexyl)-3-[1-(cyclohexylmethyl)indol-3-yl]-4-(3-methylphenyl)butanamide;hydrochloride?
N-(4-aminocyclohexyl)-3-[1-(cyclohexylmethyl)indol-3-yl]-4-(3-methylphenyl)butanamide;hydrochloride has a molecular weight of 522.18 g/mol, XLogP of 7.05, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminocyclohexyl)-3-[1-(cyclohexylmethyl)indol-3-yl]-4-(3-methylphenyl)butanamide;hydrochloride is sourced from PubChem (CID 162460029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).