N-cyclopropyl-N-[2-[2-(1H-indol-3-yl)ethyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]-2,6-dimethoxybenzamide

C32H35N3O4 — CID 42772550

About N-cyclopropyl-N-[2-[2-(1H-indol-3-yl)ethyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]-2,6-dimethoxybenzamide

N-cyclopropyl-N-[2-[2-(1H-indol-3-yl)ethyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]-2,6-dimethoxybenzamide (PubChem CID 42772550) has the molecular formula C32H35N3O4 and a molecular weight of 525.65 g/mol. Its IUPAC name is N-cyclopropyl-N-[2-[2-(1H-indol-3-yl)ethyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]-2,6-dimethoxybenzamide.

Molecular Properties

• Compound Name: N-cyclopropyl-N-[2-[2-(1H-indol-3-yl)ethyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]-2,6-dimethoxybenzamide
• PubChem CID: 42772550
• Molecular Formula: C32H35N3O4
• Molecular Weight: 525.65 g/mol
• Exact Mass: 525.26
• IUPAC Name: N-cyclopropyl-N-[2-[2-(1H-indol-3-yl)ethyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]-2,6-dimethoxybenzamide
• SMILES: COc1cccc(OC)c1C(=O)N(CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(C)cc1)C1CC1
• InChI: InChI=1S/C32H35N3O4/c1-22-11-13-23(14-12-22)20-34(18-17-24-19-33-27-8-5-4-7-26(24)27)30(36)21-35(25-15-16-25)32(37)31-28(38-2)9-6-10-29(31)39-3/h4-14,19,25,33H,15-18,20-21H2,1-3H3
• InChIKey: CJDRMPRZAJAHPQ-UHFFFAOYSA-N
• XLogP: 5.37
• TPSA: 74.87 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 11
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	525.65
LogP ≤ 5	5.37
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

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]-2,6-dimethoxybenzamide?

The IUPAC name of N-cyclopropyl-N-[2-[2-(1H-indol-3-yl)ethyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]-2,6-dimethoxybenzamide (CID 42772550) is N-cyclopropyl-N-[2-[2-(1H-indol-3-yl)ethyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]-2,6-dimethoxybenzamide.

What is the SMILES notation for N-cyclopropyl-N-[2-[2-(1H-indol-3-yl)ethyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]-2,6-dimethoxybenzamide?

The canonical SMILES for N-cyclopropyl-N-[2-[2-(1H-indol-3-yl)ethyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]-2,6-dimethoxybenzamide is COc1cccc(OC)c1C(=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]-2,6-dimethoxybenzamide?

The InChIKey is CJDRMPRZAJAHPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H35N3O4/c1-22-11-13-23(14-12-22)20-34(18-17-24-19-33-27-8-5-4-7-26(24)27)30(36)21-35(25-15-16-25)32(37)31-28(38-2)9-6-10-29(31)39-3/h4-14,19,25,33H,15-18,20-21H2,1-3H3.

What are the key properties of N-cyclopropyl-N-[2-[2-(1H-indol-3-yl)ethyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]-2,6-dimethoxybenzamide?

N-cyclopropyl-N-[2-[2-(1H-indol-3-yl)ethyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]-2,6-dimethoxybenzamide has a molecular weight of 525.65 g/mol, XLogP of 5.37, 11 rotatable bonds, 1 hydrogen bond donors, and 4 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]-2,6-dimethoxybenzamide is sourced from PubChem (CID 42772550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).