3-(3,5-dimethoxyphenyl)-3-(1-methylindol-3-yl)-N-(4-methylphenyl)propanamide

C27H28N2O3 — CID 42774691

IUPAC3-(3,5-dimethoxyphenyl)-3-(1-methylindol-3-yl)-N-(4-methylphenyl)propanamide
SMILESCOc1cc(OC)cc(C(CC(=O)Nc2ccc(C)cc2)c2cn(C)c3ccccc23)c1
InChIInChI=1S/C27H28N2O3/c1-18-9-11-20(12-10-18)28-27(30)16-24(19-13-21(31-3)15-22(14-19)32-4)25-17-29(2)26-8-6-5-7-23(25)26/h5-15,17,24H,16H2,1-4H3,(H,28,30)
InChIKeyCRLBQMNMDHHWQL-UHFFFAOYSA-N
MW428.53 g/mol
LogP5.66
Rot. Bonds7

About 3-(3,5-dimethoxyphenyl)-3-(1-methylindol-3-yl)-N-(4-methylphenyl)propanamide

3-(3,5-dimethoxyphenyl)-3-(1-methylindol-3-yl)-N-(4-methylphenyl)propanamide (PubChem CID 42774691) has the molecular formula C27H28N2O3 and a molecular weight of 428.53 g/mol. Its IUPAC name is 3-(3,5-dimethoxyphenyl)-3-(1-methylindol-3-yl)-N-(4-methylphenyl)propanamide.

Molecular Properties

Compound Name3-(3,5-dimethoxyphenyl)-3-(1-methylindol-3-yl)-N-(4-methylphenyl)propanamide
PubChem CID42774691
Molecular FormulaC27H28N2O3
Molecular Weight428.53 g/mol
Exact Mass428.21
IUPAC Name3-(3,5-dimethoxyphenyl)-3-(1-methylindol-3-yl)-N-(4-methylphenyl)propanamide
SMILESCOc1cc(OC)cc(C(CC(=O)Nc2ccc(C)cc2)c2cn(C)c3ccccc23)c1
InChIInChI=1S/C27H28N2O3/c1-18-9-11-20(12-10-18)28-27(30)16-24(19-13-21(31-3)15-22(14-19)32-4)25-17-29(2)26-8-6-5-7-23(25)26/h5-15,17,24H,16H2,1-4H3,(H,28,30)
InChIKeyCRLBQMNMDHHWQL-UHFFFAOYSA-N
XLogP5.66
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.53
LogP ≤ 55.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(3,5-dimethoxyphenyl)-3-(1-methylindol-3-yl)-N-(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

N-butyl-3-(3,5-dimethoxyphenyl)-3-(1-methylindol-3-yl)propanamide
CID 3602698
3-(3,5-dimethoxyphenyl)-N-[2-(dimethylamino)ethyl]-3-(1-methylindol-3-yl)propanamide
CID 42774682
(3S)-3-(3,5-dimethoxyphenyl)-3-(1-methylindol-3-yl)-N-(2-pyrrolidin-1-ylethyl)propanamide
CID 92959586
N-(3,4-dimethylphenyl)-3-(2-methoxyphenyl)-3-(1-methylindol-3-yl)propanamide
CID 42804466
N-(4-fluorophenyl)-3-(2-methoxyphenyl)-3-(1-methylindol-3-yl)propanamide
CID 42804465
(3S)-N-[(2R)-5-(diethylamino)pentan-2-yl]-3-(3,5-dimethoxyphenyl)-3-(1-methylindol-3-yl)propanamide
CID 93012615
(3S)-N-[(2S)-5-(diethylamino)pentan-2-yl]-3-(3,5-dimethoxyphenyl)-3-(1-methylindol-3-yl)propanamide
CID 93012616
methyl (4S)-4-(1-methylindol-3-yl)-4-(4-methylphenyl)-2-oxobutanoate
CID 101458793
3-(4-methoxyphenyl)-3-(1-methylindol-3-yl)-N-propylpropanamide
CID 42802923
N-tert-butyl-3-(3,5-dimethoxyphenyl)-3-(1-ethylindol-3-yl)propanamide
CID 42801322
3-(2-hydroxy-4-methylphenyl)-N-(4-methoxyphenyl)-3-phenylpropanamide
CID 2902940
N-benzyl-3-(1-methylindol-3-yl)-3-(3-methylphenyl)propanamide
CID 3336280

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethoxyphenyl)-3-(1-methylindol-3-yl)-N-(4-methylphenyl)propanamide?
The IUPAC name of 3-(3,5-dimethoxyphenyl)-3-(1-methylindol-3-yl)-N-(4-methylphenyl)propanamide (CID 42774691) is 3-(3,5-dimethoxyphenyl)-3-(1-methylindol-3-yl)-N-(4-methylphenyl)propanamide.
What is the SMILES notation for 3-(3,5-dimethoxyphenyl)-3-(1-methylindol-3-yl)-N-(4-methylphenyl)propanamide?
The canonical SMILES for 3-(3,5-dimethoxyphenyl)-3-(1-methylindol-3-yl)-N-(4-methylphenyl)propanamide is COc1cc(OC)cc(C(CC(=O)Nc2ccc(C)cc2)c2cn(C)c3ccccc23)c1.
What is the InChIKey of 3-(3,5-dimethoxyphenyl)-3-(1-methylindol-3-yl)-N-(4-methylphenyl)propanamide?
The InChIKey is CRLBQMNMDHHWQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N2O3/c1-18-9-11-20(12-10-18)28-27(30)16-24(19-13-21(31-3)15-22(14-19)32-4)25-17-29(2)26-8-6-5-7-23(25)26/h5-15,17,24H,16H2,1-4H3,(H,28,30).
What are the key properties of 3-(3,5-dimethoxyphenyl)-3-(1-methylindol-3-yl)-N-(4-methylphenyl)propanamide?
3-(3,5-dimethoxyphenyl)-3-(1-methylindol-3-yl)-N-(4-methylphenyl)propanamide has a molecular weight of 428.53 g/mol, XLogP of 5.66, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethoxyphenyl)-3-(1-methylindol-3-yl)-N-(4-methylphenyl)propanamide is sourced from PubChem (CID 42774691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).