N-(3,4-dimethylphenyl)-3-(7-ethyl-1H-indol-3-yl)-3-(3-phenylmethoxyphenyl)propanamide

C34H34N2O2 — CID 4622416

IUPACN-(3,4-dimethylphenyl)-3-(7-ethyl-1H-indol-3-yl)-3-(3-phenylmethoxyphenyl)propanamide
SMILESCCc1cccc2c(C(CC(=O)Nc3ccc(C)c(C)c3)c3cccc(OCc4ccccc4)c3)c[nH]c12
InChIInChI=1S/C34H34N2O2/c1-4-26-12-9-15-30-32(21-35-34(26)30)31(20-33(37)36-28-17-16-23(2)24(3)18-28)27-13-8-14-29(19-27)38-22-25-10-6-5-7-11-25/h5-19,21,31,35H,4,20,22H2,1-3H3,(H,36,37)
InChIKeyASUWJJLNJQTVNH-UHFFFAOYSA-N
MW502.66 g/mol
LogP8.09
Rot. Bonds9

About N-(3,4-dimethylphenyl)-3-(7-ethyl-1H-indol-3-yl)-3-(3-phenylmethoxyphenyl)propanamide

N-(3,4-dimethylphenyl)-3-(7-ethyl-1H-indol-3-yl)-3-(3-phenylmethoxyphenyl)propanamide (PubChem CID 4622416) has the molecular formula C34H34N2O2 and a molecular weight of 502.66 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-3-(7-ethyl-1H-indol-3-yl)-3-(3-phenylmethoxyphenyl)propanamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-3-(7-ethyl-1H-indol-3-yl)-3-(3-phenylmethoxyphenyl)propanamide
PubChem CID4622416
Molecular FormulaC34H34N2O2
Molecular Weight502.66 g/mol
Exact Mass502.26
IUPAC NameN-(3,4-dimethylphenyl)-3-(7-ethyl-1H-indol-3-yl)-3-(3-phenylmethoxyphenyl)propanamide
SMILESCCc1cccc2c(C(CC(=O)Nc3ccc(C)c(C)c3)c3cccc(OCc4ccccc4)c3)c[nH]c12
InChIInChI=1S/C34H34N2O2/c1-4-26-12-9-15-30-32(21-35-34(26)30)31(20-33(37)36-28-17-16-23(2)24(3)18-28)27-13-8-14-29(19-27)38-22-25-10-6-5-7-11-25/h5-19,21,31,35H,4,20,22H2,1-3H3,(H,36,37)
InChIKeyASUWJJLNJQTVNH-UHFFFAOYSA-N
XLogP8.09
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.66
LogP ≤ 58.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-(3,4-dimethylphenyl)-3-(7-ethyl-1H-indol-3-yl)-3-(3-phenylmethoxyphenyl)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-(3,4-dimethylphenyl)-3-(1H-indol-3-yl)-3-(3-phenylmethoxyphenyl)propanamide
CID 3548226
3-(7-ethyl-1H-indol-3-yl)-3-(3-phenylmethoxyphenyl)propanoic acid
CID 42774239
N-(3,4-dimethylphenyl)-3-(7-ethyl-1H-indol-3-yl)-3-thiophen-2-ylpropanamide
CID 42778056
N-ethoxy-3-(7-ethyl-1H-indol-3-yl)-3-(3-phenoxyphenyl)propanamide
CID 42778032
3-(7-ethyl-1H-indol-3-yl)-3-(3-methoxyphenyl)propanoic acid
CID 42802172
3-(7-ethyl-1H-indol-3-yl)-N-(furan-2-ylmethyl)-3-(3-phenoxyphenyl)propanamide
CID 4006072
3-(3,4-dichlorophenyl)-3-(7-ethyl-1H-indol-3-yl)-N-(2-phenylethyl)propanamide
CID 24718694
3-(7-ethyl-1H-indol-3-yl)-3-(3-fluorophenyl)-N-(4-phenylbutan-2-yl)propanamide
CID 42802343
(3S)-3-(3,4-dimethoxyphenyl)-3-(7-ethyl-1H-indol-3-yl)-N-[(2S)-4-phenylbutan-2-yl]propanamide
CID 93122242
3-(3-chlorophenyl)-3-(7-ethyl-1H-indol-3-yl)-N-propylpropanamide
CID 42774598
3-(7-ethyl-1H-indol-3-yl)-N-(2-methylpropyl)-3-phenylpropanamide
CID 4102874
3-(7-ethyl-1H-indol-3-yl)-3-(3-methylphenyl)-N-(2-pyridin-2-ylethyl)propanamide
CID 5059153

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-3-(7-ethyl-1H-indol-3-yl)-3-(3-phenylmethoxyphenyl)propanamide?
The IUPAC name of N-(3,4-dimethylphenyl)-3-(7-ethyl-1H-indol-3-yl)-3-(3-phenylmethoxyphenyl)propanamide (CID 4622416) is N-(3,4-dimethylphenyl)-3-(7-ethyl-1H-indol-3-yl)-3-(3-phenylmethoxyphenyl)propanamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-3-(7-ethyl-1H-indol-3-yl)-3-(3-phenylmethoxyphenyl)propanamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-3-(7-ethyl-1H-indol-3-yl)-3-(3-phenylmethoxyphenyl)propanamide is CCc1cccc2c(C(CC(=O)Nc3ccc(C)c(C)c3)c3cccc(OCc4ccccc4)c3)c[nH]c12.
What is the InChIKey of N-(3,4-dimethylphenyl)-3-(7-ethyl-1H-indol-3-yl)-3-(3-phenylmethoxyphenyl)propanamide?
The InChIKey is ASUWJJLNJQTVNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H34N2O2/c1-4-26-12-9-15-30-32(21-35-34(26)30)31(20-33(37)36-28-17-16-23(2)24(3)18-28)27-13-8-14-29(19-27)38-22-25-10-6-5-7-11-25/h5-19,21,31,35H,4,20,22H2,1-3H3,(H,36,37).
What are the key properties of N-(3,4-dimethylphenyl)-3-(7-ethyl-1H-indol-3-yl)-3-(3-phenylmethoxyphenyl)propanamide?
N-(3,4-dimethylphenyl)-3-(7-ethyl-1H-indol-3-yl)-3-(3-phenylmethoxyphenyl)propanamide has a molecular weight of 502.66 g/mol, XLogP of 8.09, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-3-(7-ethyl-1H-indol-3-yl)-3-(3-phenylmethoxyphenyl)propanamide is sourced from PubChem (CID 4622416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).