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

C32H37N3O4 — CID 4196541

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

N-[2-[2-(1H-indol-3-yl)ethyl-[(4-methoxyphenyl)methyl]amino]-2-oxoethyl]-3-methoxy-N-(2-methylpropyl)benzamide (PubChem CID 4196541) has the molecular formula C32H37N3O4 and a molecular weight of 527.67 g/mol. Its IUPAC name is N-[2-[2-(1H-indol-3-yl)ethyl-[(4-methoxyphenyl)methyl]amino]-2-oxoethyl]-3-methoxy-N-(2-methylpropyl)benzamide.

Molecular Properties

• Compound Name: N-[2-[2-(1H-indol-3-yl)ethyl-[(4-methoxyphenyl)methyl]amino]-2-oxoethyl]-3-methoxy-N-(2-methylpropyl)benzamide
• PubChem CID: 4196541
• Molecular Formula: C32H37N3O4
• Molecular Weight: 527.67 g/mol
• Exact Mass: 527.28
• IUPAC Name: N-[2-[2-(1H-indol-3-yl)ethyl-[(4-methoxyphenyl)methyl]amino]-2-oxoethyl]-3-methoxy-N-(2-methylpropyl)benzamide
• SMILES: COc1ccc(CN(CCc2c[nH]c3ccccc23)C(=O)CN(CC(C)C)C(=O)c2cccc(OC)c2)cc1
• InChI: InChI=1S/C32H37N3O4/c1-23(2)20-35(32(37)25-8-7-9-28(18-25)39-4)22-31(36)34(21-24-12-14-27(38-3)15-13-24)17-16-26-19-33-30-11-6-5-10-29(26)30/h5-15,18-19,23,33H,16-17,20-22H2,1-4H3
• InChIKey: ABOQRKUPNAHJFK-UHFFFAOYSA-N
• XLogP: 5.55
• TPSA: 74.87 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 12
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	527.67
LogP ≤ 5	5.55
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of N-[2-[2-(1H-indol-3-yl)ethyl-[(4-methoxyphenyl)methyl]amino]-2-oxoethyl]-3-methoxy-N-(2-methylpropyl)benzamide (CID 4196541) is N-[2-[2-(1H-indol-3-yl)ethyl-[(4-methoxyphenyl)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-methoxyphenyl)methyl]amino]-2-oxoethyl]-3-methoxy-N-(2-methylpropyl)benzamide?

The canonical SMILES for N-[2-[2-(1H-indol-3-yl)ethyl-[(4-methoxyphenyl)methyl]amino]-2-oxoethyl]-3-methoxy-N-(2-methylpropyl)benzamide is COc1ccc(CN(CCc2c[nH]c3ccccc23)C(=O)CN(CC(C)C)C(=O)c2cccc(OC)c2)cc1.

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

The InChIKey is ABOQRKUPNAHJFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H37N3O4/c1-23(2)20-35(32(37)25-8-7-9-28(18-25)39-4)22-31(36)34(21-24-12-14-27(38-3)15-13-24)17-16-26-19-33-30-11-6-5-10-29(26)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-methoxyphenyl)methyl]amino]-2-oxoethyl]-3-methoxy-N-(2-methylpropyl)benzamide?

N-[2-[2-(1H-indol-3-yl)ethyl-[(4-methoxyphenyl)methyl]amino]-2-oxoethyl]-3-methoxy-N-(2-methylpropyl)benzamide has a molecular weight of 527.67 g/mol, XLogP of 5.55, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[2-(1H-indol-3-yl)ethyl-[(4-methoxyphenyl)methyl]amino]-2-oxoethyl]-3-methoxy-N-(2-methylpropyl)benzamide is sourced from PubChem (CID 4196541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).