N-benzhydryl-3-(2,4-dimethoxyphenyl)-3-(7-ethyl-1H-indol-3-yl)propanamide

C34H34N2O3 — CID 42804555

IUPACN-benzhydryl-3-(2,4-dimethoxyphenyl)-3-(7-ethyl-1H-indol-3-yl)propanamide
SMILESCCc1cccc2c(C(CC(=O)NC(c3ccccc3)c3ccccc3)c3ccc(OC)cc3OC)c[nH]c12
InChIInChI=1S/C34H34N2O3/c1-4-23-16-11-17-28-30(22-35-34(23)28)29(27-19-18-26(38-2)20-31(27)39-3)21-32(37)36-33(24-12-7-5-8-13-24)25-14-9-6-10-15-25/h5-20,22,29,33,35H,4,21H2,1-3H3,(H,36,37)
InChIKeyOJMNZERSQGBIIJ-UHFFFAOYSA-N
MW518.66 g/mol
LogP7.18
Rot. Bonds10

About N-benzhydryl-3-(2,4-dimethoxyphenyl)-3-(7-ethyl-1H-indol-3-yl)propanamide

N-benzhydryl-3-(2,4-dimethoxyphenyl)-3-(7-ethyl-1H-indol-3-yl)propanamide (PubChem CID 42804555) has the molecular formula C34H34N2O3 and a molecular weight of 518.66 g/mol. Its IUPAC name is N-benzhydryl-3-(2,4-dimethoxyphenyl)-3-(7-ethyl-1H-indol-3-yl)propanamide.

Molecular Properties

Compound NameN-benzhydryl-3-(2,4-dimethoxyphenyl)-3-(7-ethyl-1H-indol-3-yl)propanamide
PubChem CID42804555
Molecular FormulaC34H34N2O3
Molecular Weight518.66 g/mol
Exact Mass518.26
IUPAC NameN-benzhydryl-3-(2,4-dimethoxyphenyl)-3-(7-ethyl-1H-indol-3-yl)propanamide
SMILESCCc1cccc2c(C(CC(=O)NC(c3ccccc3)c3ccccc3)c3ccc(OC)cc3OC)c[nH]c12
InChIInChI=1S/C34H34N2O3/c1-4-23-16-11-17-28-30(22-35-34(23)28)29(27-19-18-26(38-2)20-31(27)39-3)21-32(37)36-33(24-12-7-5-8-13-24)25-14-9-6-10-15-25/h5-20,22,29,33,35H,4,21H2,1-3H3,(H,36,37)
InChIKeyOJMNZERSQGBIIJ-UHFFFAOYSA-N
XLogP7.18
TPSA63.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.66
LogP ≤ 57.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-benzhydryl-3-(2,4-dimethoxyphenyl)-3-(7-ethyl-1H-indol-3-yl)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

N-benzhydryl-3-(7-ethyl-1H-indol-3-yl)-3-(4-methoxyphenyl)propanamide
CID 42802298
(3R)-3-(2,4-dimethoxyphenyl)-3-(7-ethyl-1H-indol-3-yl)-N-hexylpropanamide
CID 93125167
3-(7-ethyl-1H-indol-3-yl)-3-(3-methoxyphenyl)propanoic acid
CID 42802172
(3R)-N-[(2S)-5-(diethylamino)pentan-2-yl]-3-(7-ethyl-1H-indol-3-yl)-3-(2-methoxyphenyl)propanamide
CID 93123831
(3R)-3-(2,4-dimethoxyphenyl)-3-(1H-indol-3-yl)-N-[(2S)-4-phenylbutan-2-yl]propanamide
CID 93125259
(3S)-3-(2-chlorophenyl)-3-(7-ethyl-1H-indol-3-yl)-N-[(1S)-1-phenylethyl]propanamide
CID 93123806
(3R)-3-(2-chlorophenyl)-3-(7-ethyl-1H-indol-3-yl)-N-[(1S)-1-phenylethyl]propanamide
CID 93123805
(3S)-3-(3,4-dimethoxyphenyl)-3-(7-ethyl-1H-indol-3-yl)-N-[(2S)-4-phenylbutan-2-yl]propanamide
CID 93122242
(3R)-3-(3,4-dichlorophenyl)-3-(7-ethyl-1H-indol-3-yl)-N-[(1S)-1-phenylethyl]propanamide
CID 93123778
(3S)-3-(3,4-dichlorophenyl)-3-(7-ethyl-1H-indol-3-yl)-N-[(1R)-1-phenylethyl]propanamide
CID 93123779
3-(3,5-dimethoxyphenyl)-3-(7-ethyl-1H-indol-3-yl)-N-(2-methylpropyl)propanamide
CID 4034993
3-(2,4-difluorophenyl)-3-(7-ethyl-1H-indol-3-yl)-N-(1-phenylethyl)propanamide
CID 42804500

Frequently Asked Questions

What is the IUPAC name of N-benzhydryl-3-(2,4-dimethoxyphenyl)-3-(7-ethyl-1H-indol-3-yl)propanamide?
The IUPAC name of N-benzhydryl-3-(2,4-dimethoxyphenyl)-3-(7-ethyl-1H-indol-3-yl)propanamide (CID 42804555) is N-benzhydryl-3-(2,4-dimethoxyphenyl)-3-(7-ethyl-1H-indol-3-yl)propanamide.
What is the SMILES notation for N-benzhydryl-3-(2,4-dimethoxyphenyl)-3-(7-ethyl-1H-indol-3-yl)propanamide?
The canonical SMILES for N-benzhydryl-3-(2,4-dimethoxyphenyl)-3-(7-ethyl-1H-indol-3-yl)propanamide is CCc1cccc2c(C(CC(=O)NC(c3ccccc3)c3ccccc3)c3ccc(OC)cc3OC)c[nH]c12.
What is the InChIKey of N-benzhydryl-3-(2,4-dimethoxyphenyl)-3-(7-ethyl-1H-indol-3-yl)propanamide?
The InChIKey is OJMNZERSQGBIIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H34N2O3/c1-4-23-16-11-17-28-30(22-35-34(23)28)29(27-19-18-26(38-2)20-31(27)39-3)21-32(37)36-33(24-12-7-5-8-13-24)25-14-9-6-10-15-25/h5-20,22,29,33,35H,4,21H2,1-3H3,(H,36,37).
What are the key properties of N-benzhydryl-3-(2,4-dimethoxyphenyl)-3-(7-ethyl-1H-indol-3-yl)propanamide?
N-benzhydryl-3-(2,4-dimethoxyphenyl)-3-(7-ethyl-1H-indol-3-yl)propanamide has a molecular weight of 518.66 g/mol, XLogP of 7.18, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzhydryl-3-(2,4-dimethoxyphenyl)-3-(7-ethyl-1H-indol-3-yl)propanamide is sourced from PubChem (CID 42804555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).