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

C31H33N3O3 — CID 4656430

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

N-cyclopropyl-N-[2-[2-(1H-indol-3-yl)ethyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]-2-methoxybenzamide (PubChem CID 4656430) has the molecular formula C31H33N3O3 and a molecular weight of 495.62 g/mol. Its IUPAC name is N-cyclopropyl-N-[2-[2-(1H-indol-3-yl)ethyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]-2-methoxybenzamide.

Molecular Properties

• Compound Name: N-cyclopropyl-N-[2-[2-(1H-indol-3-yl)ethyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]-2-methoxybenzamide
• PubChem CID: 4656430
• Molecular Formula: C31H33N3O3
• Molecular Weight: 495.62 g/mol
• Exact Mass: 495.25
• IUPAC Name: N-cyclopropyl-N-[2-[2-(1H-indol-3-yl)ethyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]-2-methoxybenzamide
• SMILES: COc1ccccc1C(=O)N(CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(C)cc1)C1CC1
• InChI: InChI=1S/C31H33N3O3/c1-22-11-13-23(14-12-22)20-33(18-17-24-19-32-28-9-5-3-7-26(24)28)30(35)21-34(25-15-16-25)31(36)27-8-4-6-10-29(27)37-2/h3-14,19,25,32H,15-18,20-21H2,1-2H3
• InChIKey: QUADELYCQFXJLP-UHFFFAOYSA-N
• XLogP: 5.36
• TPSA: 65.64 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 10
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	495.62
LogP ≤ 5	5.36
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

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-methoxybenzamide?

The IUPAC name of N-cyclopropyl-N-[2-[2-(1H-indol-3-yl)ethyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]-2-methoxybenzamide (CID 4656430) is N-cyclopropyl-N-[2-[2-(1H-indol-3-yl)ethyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]-2-methoxybenzamide.

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

The canonical SMILES for N-cyclopropyl-N-[2-[2-(1H-indol-3-yl)ethyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]-2-methoxybenzamide is COc1ccccc1C(=O)N(CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(C)cc1)C1CC1.

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

The InChIKey is QUADELYCQFXJLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H33N3O3/c1-22-11-13-23(14-12-22)20-33(18-17-24-19-32-28-9-5-3-7-26(24)28)30(35)21-34(25-15-16-25)31(36)27-8-4-6-10-29(27)37-2/h3-14,19,25,32H,15-18,20-21H2,1-2H3.

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

N-cyclopropyl-N-[2-[2-(1H-indol-3-yl)ethyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]-2-methoxybenzamide has a molecular weight of 495.62 g/mol, XLogP of 5.36, 10 rotatable bonds, 1 hydrogen bond donors, and 3 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-methoxybenzamide is sourced from PubChem (CID 4656430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).