2-[(2,2-diphenylacetyl)amino]-3-(1H-indol-3-yl)-N-(2-methylphenyl)propanamide

C32H29N3O2 — CID 3110636

IUPAC2-[(2,2-diphenylacetyl)amino]-3-(1H-indol-3-yl)-N-(2-methylphenyl)propanamide
SMILESCc1ccccc1NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C32H29N3O2/c1-22-12-8-10-18-27(22)34-31(36)29(20-25-21-33-28-19-11-9-17-26(25)28)35-32(37)30(23-13-4-2-5-14-23)24-15-6-3-7-16-24/h2-19,21,29-30,33H,20H2,1H3,(H,34,36)(H,35,37)
InChIKeyOOJSNTSDEGVPTQ-UHFFFAOYSA-N
MW487.60 g/mol
LogP5.97
Rot. Bonds8

About 2-[(2,2-diphenylacetyl)amino]-3-(1H-indol-3-yl)-N-(2-methylphenyl)propanamide

2-[(2,2-diphenylacetyl)amino]-3-(1H-indol-3-yl)-N-(2-methylphenyl)propanamide (PubChem CID 3110636) has the molecular formula C32H29N3O2 and a molecular weight of 487.60 g/mol. Its IUPAC name is 2-[(2,2-diphenylacetyl)amino]-3-(1H-indol-3-yl)-N-(2-methylphenyl)propanamide.

Molecular Properties

Compound Name2-[(2,2-diphenylacetyl)amino]-3-(1H-indol-3-yl)-N-(2-methylphenyl)propanamide
PubChem CID3110636
Molecular FormulaC32H29N3O2
Molecular Weight487.60 g/mol
Exact Mass487.23
IUPAC Name2-[(2,2-diphenylacetyl)amino]-3-(1H-indol-3-yl)-N-(2-methylphenyl)propanamide
SMILESCc1ccccc1NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C32H29N3O2/c1-22-12-8-10-18-27(22)34-31(36)29(20-25-21-33-28-19-11-9-17-26(25)28)35-32(37)30(23-13-4-2-5-14-23)24-15-6-3-7-16-24/h2-19,21,29-30,33H,20H2,1H3,(H,34,36)(H,35,37)
InChIKeyOOJSNTSDEGVPTQ-UHFFFAOYSA-N
XLogP5.97
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.60
LogP ≤ 55.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 2-[(2,2-diphenylacetyl)amino]-3-(1H-indol-3-yl)-N-(2-methylphenyl)propanamide with MolForge

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Related Compounds

(2R)-N-(2,5-dimethylphenyl)-2-[(2,2-diphenylacetyl)amino]-3-(1H-indol-3-yl)propanamide
CID 1104709
methyl (2R)-2-[(2,2-diphenylacetyl)amino]-3-(1H-indol-3-yl)propanoate
CID 1240851
N-cyclohexyl-2-[(2,2-diphenylacetyl)amino]-3-(1H-indol-3-yl)propanamide
CID 3110641
2-acetamido-3-(1H-indol-3-yl)-N-phenylpropanamide
CID 46449928
2-acetamido-N-(4-acetamido-3-methylphenyl)-3-(1H-indol-3-yl)propanamide
CID 46421755
3-(1H-indol-3-yl)-2-(2-methylpropanoylamino)propanoic acid
CID 582733
ethyl N-[(2R)-1-(2-chloroanilino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamate
CID 46499919
phenyl N-[(2S)-1-(5-chloro-2-methylanilino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamate
CID 126005197
phenyl N-[3-(1H-indol-3-yl)-1-(2-methoxyanilino)-1-oxopropan-2-yl]carbamate
CID 2876163
2-acetamido-3-(1H-indol-3-yl)-N-(1-phenylethyl)propanamide
CID 4224605
ethyl N-[(2S)-1-anilino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamate
CID 40830371
N-[1-(4-acetamido-2-chloroanilino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-methylpropanamide
CID 86945334

Frequently Asked Questions

What is the IUPAC name of 2-[(2,2-diphenylacetyl)amino]-3-(1H-indol-3-yl)-N-(2-methylphenyl)propanamide?
The IUPAC name of 2-[(2,2-diphenylacetyl)amino]-3-(1H-indol-3-yl)-N-(2-methylphenyl)propanamide (CID 3110636) is 2-[(2,2-diphenylacetyl)amino]-3-(1H-indol-3-yl)-N-(2-methylphenyl)propanamide.
What is the SMILES notation for 2-[(2,2-diphenylacetyl)amino]-3-(1H-indol-3-yl)-N-(2-methylphenyl)propanamide?
The canonical SMILES for 2-[(2,2-diphenylacetyl)amino]-3-(1H-indol-3-yl)-N-(2-methylphenyl)propanamide is Cc1ccccc1NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-[(2,2-diphenylacetyl)amino]-3-(1H-indol-3-yl)-N-(2-methylphenyl)propanamide?
The InChIKey is OOJSNTSDEGVPTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H29N3O2/c1-22-12-8-10-18-27(22)34-31(36)29(20-25-21-33-28-19-11-9-17-26(25)28)35-32(37)30(23-13-4-2-5-14-23)24-15-6-3-7-16-24/h2-19,21,29-30,33H,20H2,1H3,(H,34,36)(H,35,37).
What are the key properties of 2-[(2,2-diphenylacetyl)amino]-3-(1H-indol-3-yl)-N-(2-methylphenyl)propanamide?
2-[(2,2-diphenylacetyl)amino]-3-(1H-indol-3-yl)-N-(2-methylphenyl)propanamide has a molecular weight of 487.60 g/mol, XLogP of 5.97, 8 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,2-diphenylacetyl)amino]-3-(1H-indol-3-yl)-N-(2-methylphenyl)propanamide is sourced from PubChem (CID 3110636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).