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

C32H37N3O3 — CID 5107324

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

N-[2-[2-(1H-indol-3-yl)ethyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]-3-methoxy-N-(2-methylpropyl)benzamide (PubChem CID 5107324) has the molecular formula C32H37N3O3 and a molecular weight of 511.67 g/mol. Its IUPAC name is N-[2-[2-(1H-indol-3-yl)ethyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]-3-methoxy-N-(2-methylpropyl)benzamide.

Molecular Properties

• Compound Name: N-[2-[2-(1H-indol-3-yl)ethyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]-3-methoxy-N-(2-methylpropyl)benzamide
• PubChem CID: 5107324
• Molecular Formula: C32H37N3O3
• Molecular Weight: 511.67 g/mol
• Exact Mass: 511.28
• IUPAC Name: N-[2-[2-(1H-indol-3-yl)ethyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]-3-methoxy-N-(2-methylpropyl)benzamide
• SMILES: COc1cccc(C(=O)N(CC(=O)N(CCc2c[nH]c3ccccc23)Cc2ccc(C)cc2)CC(C)C)c1
• InChI: InChI=1S/C32H37N3O3/c1-23(2)20-35(32(37)26-8-7-9-28(18-26)38-4)22-31(36)34(21-25-14-12-24(3)13-15-25)17-16-27-19-33-30-11-6-5-10-29(27)30/h5-15,18-19,23,33H,16-17,20-22H2,1-4H3
• InChIKey: BBAGFZWIWRCLBM-UHFFFAOYSA-N
• XLogP: 5.85
• TPSA: 65.64 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 11
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	511.67
LogP ≤ 5	5.85
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

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

The IUPAC name of N-[2-[2-(1H-indol-3-yl)ethyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]-3-methoxy-N-(2-methylpropyl)benzamide (CID 5107324) is N-[2-[2-(1H-indol-3-yl)ethyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]-3-methoxy-N-(2-methylpropyl)benzamide.

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

The canonical SMILES for N-[2-[2-(1H-indol-3-yl)ethyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]-3-methoxy-N-(2-methylpropyl)benzamide is COc1cccc(C(=O)N(CC(=O)N(CCc2c[nH]c3ccccc23)Cc2ccc(C)cc2)CC(C)C)c1.

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

The InChIKey is BBAGFZWIWRCLBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H37N3O3/c1-23(2)20-35(32(37)26-8-7-9-28(18-26)38-4)22-31(36)34(21-25-14-12-24(3)13-15-25)17-16-27-19-33-30-11-6-5-10-29(27)30/h5-15,18-19,23,33H,16-17,20-22H2,1-4H3.

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

N-[2-[2-(1H-indol-3-yl)ethyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]-3-methoxy-N-(2-methylpropyl)benzamide has a molecular weight of 511.67 g/mol, XLogP of 5.85, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[2-(1H-indol-3-yl)ethyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]-3-methoxy-N-(2-methylpropyl)benzamide is sourced from PubChem (CID 5107324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).