N-cyclopropyl-N-[2-[2-(1H-indol-3-yl)ethyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]-2-phenylacetamide

C31H33N3O2 — CID 42772542

About N-cyclopropyl-N-[2-[2-(1H-indol-3-yl)ethyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]-2-phenylacetamide

N-cyclopropyl-N-[2-[2-(1H-indol-3-yl)ethyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]-2-phenylacetamide (PubChem CID 42772542) has the molecular formula C31H33N3O2 and a molecular weight of 479.62 g/mol. Its IUPAC name is N-cyclopropyl-N-[2-[2-(1H-indol-3-yl)ethyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]-2-phenylacetamide.

Molecular Properties

• Compound Name: N-cyclopropyl-N-[2-[2-(1H-indol-3-yl)ethyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]-2-phenylacetamide
• PubChem CID: 42772542
• Molecular Formula: C31H33N3O2
• Molecular Weight: 479.62 g/mol
• Exact Mass: 479.26
• IUPAC Name: N-cyclopropyl-N-[2-[2-(1H-indol-3-yl)ethyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]-2-phenylacetamide
• SMILES: Cc1ccc(CN(CCc2c[nH]c3ccccc23)C(=O)CN(C(=O)Cc2ccccc2)C2CC2)cc1
• InChI: InChI=1S/C31H33N3O2/c1-23-11-13-25(14-12-23)21-33(18-17-26-20-32-29-10-6-5-9-28(26)29)31(36)22-34(27-15-16-27)30(35)19-24-7-3-2-4-8-24/h2-14,20,27,32H,15-19,21-22H2,1H3
• InChIKey: NLPXCAAUJUXAFV-UHFFFAOYSA-N
• XLogP: 5.28
• TPSA: 56.41 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 10
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	479.62
LogP ≤ 5	5.28
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[2-[2-(1H-indol-3-yl)ethyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]-2-phenylacetamide?

The IUPAC name of N-cyclopropyl-N-[2-[2-(1H-indol-3-yl)ethyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]-2-phenylacetamide (CID 42772542) is N-cyclopropyl-N-[2-[2-(1H-indol-3-yl)ethyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]-2-phenylacetamide.

What is the SMILES notation for N-cyclopropyl-N-[2-[2-(1H-indol-3-yl)ethyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]-2-phenylacetamide?

The canonical SMILES for N-cyclopropyl-N-[2-[2-(1H-indol-3-yl)ethyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]-2-phenylacetamide is Cc1ccc(CN(CCc2c[nH]c3ccccc23)C(=O)CN(C(=O)Cc2ccccc2)C2CC2)cc1.

What is the InChIKey of N-cyclopropyl-N-[2-[2-(1H-indol-3-yl)ethyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]-2-phenylacetamide?

The InChIKey is NLPXCAAUJUXAFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H33N3O2/c1-23-11-13-25(14-12-23)21-33(18-17-26-20-32-29-10-6-5-9-28(26)29)31(36)22-34(27-15-16-27)30(35)19-24-7-3-2-4-8-24/h2-14,20,27,32H,15-19,21-22H2,1H3.

What are the key properties of N-cyclopropyl-N-[2-[2-(1H-indol-3-yl)ethyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]-2-phenylacetamide?

N-cyclopropyl-N-[2-[2-(1H-indol-3-yl)ethyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]-2-phenylacetamide has a molecular weight of 479.62 g/mol, XLogP of 5.28, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclopropyl-N-[2-[2-(1H-indol-3-yl)ethyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]-2-phenylacetamide is sourced from PubChem (CID 42772542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).