N-benzyl-3-(1H-indol-3-yl)-3-(4-methylphenyl)propanamide

C25H24N2O — CID 46131344

IUPACN-benzyl-3-(1H-indol-3-yl)-3-(4-methylphenyl)propanamide
SMILESCc1ccc(C(CC(=O)NCc2ccccc2)c2c[nH]c3ccccc23)cc1
InChIInChI=1S/C25H24N2O/c1-18-11-13-20(14-12-18)22(23-17-26-24-10-6-5-9-21(23)24)15-25(28)27-16-19-7-3-2-4-8-19/h2-14,17,22,26H,15-16H2,1H3,(H,27,28)
InChIKeyVHPOHUDSBAJLFT-UHFFFAOYSA-N
MW368.48 g/mol
LogP5.31
Rot. Bonds6

About N-benzyl-3-(1H-indol-3-yl)-3-(4-methylphenyl)propanamide

N-benzyl-3-(1H-indol-3-yl)-3-(4-methylphenyl)propanamide (PubChem CID 46131344) has the molecular formula C25H24N2O and a molecular weight of 368.48 g/mol. Its IUPAC name is N-benzyl-3-(1H-indol-3-yl)-3-(4-methylphenyl)propanamide.

Molecular Properties

Compound NameN-benzyl-3-(1H-indol-3-yl)-3-(4-methylphenyl)propanamide
PubChem CID46131344
Molecular FormulaC25H24N2O
Molecular Weight368.48 g/mol
Exact Mass368.19
IUPAC NameN-benzyl-3-(1H-indol-3-yl)-3-(4-methylphenyl)propanamide
SMILESCc1ccc(C(CC(=O)NCc2ccccc2)c2c[nH]c3ccccc23)cc1
InChIInChI=1S/C25H24N2O/c1-18-11-13-20(14-12-18)22(23-17-26-24-10-6-5-9-21(23)24)15-25(28)27-16-19-7-3-2-4-8-19/h2-14,17,22,26H,15-16H2,1H3,(H,27,28)
InChIKeyVHPOHUDSBAJLFT-UHFFFAOYSA-N
XLogP5.31
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.48
LogP ≤ 55.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze N-benzyl-3-(1H-indol-3-yl)-3-(4-methylphenyl)propanamide 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

3-(1H-indol-3-yl)-3-phenyl-N-propylpropanamide
CID 3394392
3-(4-chlorophenyl)-3-(1H-indol-3-yl)-N-(2-phenylethyl)propanamide
CID 42802173
3-(1H-indol-3-yl)-3-(3-methylphenyl)-N-(pyridin-3-ylmethyl)propanamide
CID 5226219
(3S)-N-benzyl-3-(1H-indol-3-yl)-3-[3-(trifluoromethyl)phenyl]propanamide
CID 93299390
3-(1H-indol-3-yl)-3-(3-methylphenyl)-N-(4-methylphenyl)propanamide
CID 3422452
3-(1H-indol-3-yl)-3-(4-phenylmethoxyphenyl)-N-(pyridin-3-ylmethyl)propanamide
CID 42804547
(3R)-N-benzyl-3-(2-hydroxy-5-methylphenyl)-3-phenylpropanamide
CID 27377336
3-(4-ethoxyphenyl)-3-(1H-indol-3-yl)-N-(2-methoxyethyl)propanamide
CID 91634966
N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-2-(4-methylphenoxy)acetamide
CID 17014566
N-[2-(1H-indol-3-yl)-2-(4-methylphenyl)ethyl]methanesulfonamide
CID 110293010
3-(4-fluorophenyl)-3-(1H-indol-3-yl)propanoic acid
CID 3550541
1-[2-(4-fluorophenyl)-2-(1H-indol-3-yl)ethyl]-3-[(4-fluorophenyl)methyl]urea
CID 50801431

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-(1H-indol-3-yl)-3-(4-methylphenyl)propanamide?
The IUPAC name of N-benzyl-3-(1H-indol-3-yl)-3-(4-methylphenyl)propanamide (CID 46131344) is N-benzyl-3-(1H-indol-3-yl)-3-(4-methylphenyl)propanamide.
What is the SMILES notation for N-benzyl-3-(1H-indol-3-yl)-3-(4-methylphenyl)propanamide?
The canonical SMILES for N-benzyl-3-(1H-indol-3-yl)-3-(4-methylphenyl)propanamide is Cc1ccc(C(CC(=O)NCc2ccccc2)c2c[nH]c3ccccc23)cc1.
What is the InChIKey of N-benzyl-3-(1H-indol-3-yl)-3-(4-methylphenyl)propanamide?
The InChIKey is VHPOHUDSBAJLFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O/c1-18-11-13-20(14-12-18)22(23-17-26-24-10-6-5-9-21(23)24)15-25(28)27-16-19-7-3-2-4-8-19/h2-14,17,22,26H,15-16H2,1H3,(H,27,28).
What are the key properties of N-benzyl-3-(1H-indol-3-yl)-3-(4-methylphenyl)propanamide?
N-benzyl-3-(1H-indol-3-yl)-3-(4-methylphenyl)propanamide has a molecular weight of 368.48 g/mol, XLogP of 5.31, 6 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-(1H-indol-3-yl)-3-(4-methylphenyl)propanamide is sourced from PubChem (CID 46131344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).