N-[2-[benzyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-4-methyl-N-(2-methylpropyl)benzamide

C31H35N3O2 — CID 3487340

About N-[2-[benzyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-4-methyl-N-(2-methylpropyl)benzamide

N-[2-[benzyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-4-methyl-N-(2-methylpropyl)benzamide (PubChem CID 3487340) has the molecular formula C31H35N3O2 and a molecular weight of 481.64 g/mol. Its IUPAC name is N-[2-[benzyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-4-methyl-N-(2-methylpropyl)benzamide.

Molecular Properties

• Compound Name: N-[2-[benzyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-4-methyl-N-(2-methylpropyl)benzamide
• PubChem CID: 3487340
• Molecular Formula: C31H35N3O2
• Molecular Weight: 481.64 g/mol
• Exact Mass: 481.27
• IUPAC Name: N-[2-[benzyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-4-methyl-N-(2-methylpropyl)benzamide
• SMILES: Cc1ccc(C(=O)N(CC(=O)N(CCc2c[nH]c3ccccc23)Cc2ccccc2)CC(C)C)cc1
• InChI: InChI=1S/C31H35N3O2/c1-23(2)20-34(31(36)26-15-13-24(3)14-16-26)22-30(35)33(21-25-9-5-4-6-10-25)18-17-27-19-32-29-12-8-7-11-28(27)29/h4-16,19,23,32H,17-18,20-22H2,1-3H3
• InChIKey: MMKLVQKATQGCOX-UHFFFAOYSA-N
• XLogP: 5.85
• 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	481.64
LogP ≤ 5	5.85
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

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

The IUPAC name of N-[2-[benzyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-4-methyl-N-(2-methylpropyl)benzamide (CID 3487340) is N-[2-[benzyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-4-methyl-N-(2-methylpropyl)benzamide.

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

The canonical SMILES for N-[2-[benzyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-4-methyl-N-(2-methylpropyl)benzamide is Cc1ccc(C(=O)N(CC(=O)N(CCc2c[nH]c3ccccc23)Cc2ccccc2)CC(C)C)cc1.

What is the InChIKey of N-[2-[benzyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-4-methyl-N-(2-methylpropyl)benzamide?

The InChIKey is MMKLVQKATQGCOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H35N3O2/c1-23(2)20-34(31(36)26-15-13-24(3)14-16-26)22-30(35)33(21-25-9-5-4-6-10-25)18-17-27-19-32-29-12-8-7-11-28(27)29/h4-16,19,23,32H,17-18,20-22H2,1-3H3.

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

N-[2-[benzyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-4-methyl-N-(2-methylpropyl)benzamide has a molecular weight of 481.64 g/mol, XLogP of 5.85, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[benzyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-4-methyl-N-(2-methylpropyl)benzamide is sourced from PubChem (CID 3487340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).