(3R)-3-(2,4-dimethoxyphenyl)-3-(1H-indol-3-yl)-N-[(2S)-4-phenylbutan-2-yl]propanamide

C29H32N2O3 — CID 93125259

IUPAC(3R)-3-(2,4-dimethoxyphenyl)-3-(1H-indol-3-yl)-N-[(2S)-4-phenylbutan-2-yl]propanamide
SMILESCOc1ccc([C@H](CC(=O)N[C@@H](C)CCc2ccccc2)c2c[nH]c3ccccc23)c(OC)c1
InChIInChI=1S/C29H32N2O3/c1-20(13-14-21-9-5-4-6-10-21)31-29(32)18-25(24-16-15-22(33-2)17-28(24)34-3)26-19-30-27-12-8-7-11-23(26)27/h4-12,15-17,19-20,25,30H,13-14,18H2,1-3H3,(H,31,32)/t20-,25-/m0/s1
InChIKeyGSSCSBXYEARHQU-CPJSRVTESA-N
MW456.59 g/mol
LogP5.84
Rot. Bonds10

About (3R)-3-(2,4-dimethoxyphenyl)-3-(1H-indol-3-yl)-N-[(2S)-4-phenylbutan-2-yl]propanamide

(3R)-3-(2,4-dimethoxyphenyl)-3-(1H-indol-3-yl)-N-[(2S)-4-phenylbutan-2-yl]propanamide (PubChem CID 93125259) has the molecular formula C29H32N2O3 and a molecular weight of 456.59 g/mol. Its IUPAC name is (3R)-3-(2,4-dimethoxyphenyl)-3-(1H-indol-3-yl)-N-[(2S)-4-phenylbutan-2-yl]propanamide.

Molecular Properties

Compound Name(3R)-3-(2,4-dimethoxyphenyl)-3-(1H-indol-3-yl)-N-[(2S)-4-phenylbutan-2-yl]propanamide
PubChem CID93125259
Molecular FormulaC29H32N2O3
Molecular Weight456.59 g/mol
Exact Mass456.24
IUPAC Name(3R)-3-(2,4-dimethoxyphenyl)-3-(1H-indol-3-yl)-N-[(2S)-4-phenylbutan-2-yl]propanamide
SMILESCOc1ccc([C@H](CC(=O)N[C@@H](C)CCc2ccccc2)c2c[nH]c3ccccc23)c(OC)c1
InChIInChI=1S/C29H32N2O3/c1-20(13-14-21-9-5-4-6-10-21)31-29(32)18-25(24-16-15-22(33-2)17-28(24)34-3)26-19-30-27-12-8-7-11-23(26)27/h4-12,15-17,19-20,25,30H,13-14,18H2,1-3H3,(H,31,32)/t20-,25-/m0/s1
InChIKeyGSSCSBXYEARHQU-CPJSRVTESA-N
XLogP5.84
TPSA63.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.59
LogP ≤ 55.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (3R)-3-(2,4-dimethoxyphenyl)-3-(1H-indol-3-yl)-N-[(2S)-4-phenylbutan-2-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

(3R)-N-[(2S)-5-(diethylamino)pentan-2-yl]-3-(2,4-dimethoxyphenyl)-3-(1H-indol-3-yl)propanamide
CID 93125254
(3S)-3-(2,4-dimethoxyphenyl)-3-(1H-indol-3-yl)-N-(2-pyridin-2-ylethyl)propanamide
CID 93125251
(3R)-1-(4-benzylpiperidin-1-yl)-3-(2,4-dimethoxyphenyl)-3-(1H-indol-3-yl)propan-1-one
CID 93125242
3-(2,4-dimethoxyphenyl)-3-(1H-indol-3-yl)-N-(2-piperidin-1-ylethyl)propanamide
CID 46132436
N-benzhydryl-3-(2,4-dimethoxyphenyl)-3-(7-ethyl-1H-indol-3-yl)propanamide
CID 42804555
3-(2,4-dimethoxyphenyl)-3-(1H-indol-3-yl)-1-morpholin-4-ylpropan-1-one
CID 42804608
(3S)-3-(3,4-dimethoxyphenyl)-3-(7-ethyl-1H-indol-3-yl)-N-[(2S)-4-phenylbutan-2-yl]propanamide
CID 93122242
3-(5-methoxy-1H-indol-3-yl)-N-(2-methylpropyl)-5-phenylpentanamide
CID 83280081
2-phenyl-N-[4-(3,4,5-trimethoxyphenyl)butan-2-yl]acetamide
CID 23739276
3-[(2,4-dimethoxyphenyl)-phenylmethyl]-1H-indole
CID 72701742
3-(3,5-dimethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(1H-indol-3-yl)propanamide
CID 42774379
(3R)-3-(2,4-dimethoxyphenyl)-3-(7-ethyl-1H-indol-3-yl)-N-hexylpropanamide
CID 93125167

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(2,4-dimethoxyphenyl)-3-(1H-indol-3-yl)-N-[(2S)-4-phenylbutan-2-yl]propanamide?
The IUPAC name of (3R)-3-(2,4-dimethoxyphenyl)-3-(1H-indol-3-yl)-N-[(2S)-4-phenylbutan-2-yl]propanamide (CID 93125259) is (3R)-3-(2,4-dimethoxyphenyl)-3-(1H-indol-3-yl)-N-[(2S)-4-phenylbutan-2-yl]propanamide.
What is the SMILES notation for (3R)-3-(2,4-dimethoxyphenyl)-3-(1H-indol-3-yl)-N-[(2S)-4-phenylbutan-2-yl]propanamide?
The canonical SMILES for (3R)-3-(2,4-dimethoxyphenyl)-3-(1H-indol-3-yl)-N-[(2S)-4-phenylbutan-2-yl]propanamide is COc1ccc([C@H](CC(=O)N[C@@H](C)CCc2ccccc2)c2c[nH]c3ccccc23)c(OC)c1.
What is the InChIKey of (3R)-3-(2,4-dimethoxyphenyl)-3-(1H-indol-3-yl)-N-[(2S)-4-phenylbutan-2-yl]propanamide?
The InChIKey is GSSCSBXYEARHQU-CPJSRVTESA-N. The full InChI is InChI=1S/C29H32N2O3/c1-20(13-14-21-9-5-4-6-10-21)31-29(32)18-25(24-16-15-22(33-2)17-28(24)34-3)26-19-30-27-12-8-7-11-23(26)27/h4-12,15-17,19-20,25,30H,13-14,18H2,1-3H3,(H,31,32)/t20-,25-/m0/s1.
What are the key properties of (3R)-3-(2,4-dimethoxyphenyl)-3-(1H-indol-3-yl)-N-[(2S)-4-phenylbutan-2-yl]propanamide?
(3R)-3-(2,4-dimethoxyphenyl)-3-(1H-indol-3-yl)-N-[(2S)-4-phenylbutan-2-yl]propanamide has a molecular weight of 456.59 g/mol, XLogP of 5.84, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(2,4-dimethoxyphenyl)-3-(1H-indol-3-yl)-N-[(2S)-4-phenylbutan-2-yl]propanamide is sourced from PubChem (CID 93125259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).