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

C28H35N3O2 — CID 5046355

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

N-cyclopropyl-N-[2-[2-(1H-indol-3-yl)ethyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]pentanamide (PubChem CID 5046355) has the molecular formula C28H35N3O2 and a molecular weight of 445.61 g/mol. Its IUPAC name is N-cyclopropyl-N-[2-[2-(1H-indol-3-yl)ethyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]pentanamide.

Molecular Properties

• Compound Name: N-cyclopropyl-N-[2-[2-(1H-indol-3-yl)ethyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]pentanamide
• PubChem CID: 5046355
• Molecular Formula: C28H35N3O2
• Molecular Weight: 445.61 g/mol
• Exact Mass: 445.27
• IUPAC Name: N-cyclopropyl-N-[2-[2-(1H-indol-3-yl)ethyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]pentanamide
• SMILES: CCCCC(=O)N(CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(C)cc1)C1CC1
• InChI: InChI=1S/C28H35N3O2/c1-3-4-9-27(32)31(24-14-15-24)20-28(33)30(19-22-12-10-21(2)11-13-22)17-16-23-18-29-26-8-6-5-7-25(23)26/h5-8,10-13,18,24,29H,3-4,9,14-17,19-20H2,1-2H3
• InChIKey: GQARPFNRRZRIMG-UHFFFAOYSA-N
• XLogP: 5.23
• TPSA: 56.41 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 11
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	445.61
LogP ≤ 5	5.23
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

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]pentanamide?

The IUPAC name of N-cyclopropyl-N-[2-[2-(1H-indol-3-yl)ethyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]pentanamide (CID 5046355) is N-cyclopropyl-N-[2-[2-(1H-indol-3-yl)ethyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]pentanamide.

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

The canonical SMILES for N-cyclopropyl-N-[2-[2-(1H-indol-3-yl)ethyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]pentanamide is CCCCC(=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]pentanamide?

The InChIKey is GQARPFNRRZRIMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35N3O2/c1-3-4-9-27(32)31(24-14-15-24)20-28(33)30(19-22-12-10-21(2)11-13-22)17-16-23-18-29-26-8-6-5-7-25(23)26/h5-8,10-13,18,24,29H,3-4,9,14-17,19-20H2,1-2H3.

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

N-cyclopropyl-N-[2-[2-(1H-indol-3-yl)ethyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]pentanamide has a molecular weight of 445.61 g/mol, XLogP of 5.23, 11 rotatable bonds, 1 hydrogen bond donors, and 2 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]pentanamide is sourced from PubChem (CID 5046355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).