2-[3-(4-ethylphenyl)propanoyl-[(2-methylphenyl)methyl]amino]-3-phenyl-N-propan-2-ylpropanamide

C31H38N2O2 — CID 133195722

About 2-[3-(4-ethylphenyl)propanoyl-[(2-methylphenyl)methyl]amino]-3-phenyl-N-propan-2-ylpropanamide

2-[3-(4-ethylphenyl)propanoyl-[(2-methylphenyl)methyl]amino]-3-phenyl-N-propan-2-ylpropanamide (PubChem CID 133195722) has the molecular formula C31H38N2O2 and a molecular weight of 470.66 g/mol. Its IUPAC name is 2-[3-(4-ethylphenyl)propanoyl-[(2-methylphenyl)methyl]amino]-3-phenyl-N-propan-2-ylpropanamide.

Molecular Properties

• Compound Name: 2-[3-(4-ethylphenyl)propanoyl-[(2-methylphenyl)methyl]amino]-3-phenyl-N-propan-2-ylpropanamide
• PubChem CID: 133195722
• Molecular Formula: C31H38N2O2
• Molecular Weight: 470.66 g/mol
• Exact Mass: 470.29
• IUPAC Name: 2-[3-(4-ethylphenyl)propanoyl-[(2-methylphenyl)methyl]amino]-3-phenyl-N-propan-2-ylpropanamide
• SMILES: CCc1ccc(CCC(=O)N(Cc2ccccc2C)C(Cc2ccccc2)C(=O)NC(C)C)cc1
• InChI: InChI=1S/C31H38N2O2/c1-5-25-15-17-26(18-16-25)19-20-30(34)33(22-28-14-10-9-11-24(28)4)29(31(35)32-23(2)3)21-27-12-7-6-8-13-27/h6-18,23,29H,5,19-22H2,1-4H3,(H,32,35)
• InChIKey: LCUJFONCQBBIHZ-UHFFFAOYSA-N
• XLogP: 5.65
• TPSA: 49.41 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 11
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	470.66
LogP ≤ 5	5.65
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-ethylphenyl)propanoyl-[(2-methylphenyl)methyl]amino]-3-phenyl-N-propan-2-ylpropanamide?

The IUPAC name of 2-[3-(4-ethylphenyl)propanoyl-[(2-methylphenyl)methyl]amino]-3-phenyl-N-propan-2-ylpropanamide (CID 133195722) is 2-[3-(4-ethylphenyl)propanoyl-[(2-methylphenyl)methyl]amino]-3-phenyl-N-propan-2-ylpropanamide.

What is the SMILES notation for 2-[3-(4-ethylphenyl)propanoyl-[(2-methylphenyl)methyl]amino]-3-phenyl-N-propan-2-ylpropanamide?

The canonical SMILES for 2-[3-(4-ethylphenyl)propanoyl-[(2-methylphenyl)methyl]amino]-3-phenyl-N-propan-2-ylpropanamide is CCc1ccc(CCC(=O)N(Cc2ccccc2C)C(Cc2ccccc2)C(=O)NC(C)C)cc1.

What is the InChIKey of 2-[3-(4-ethylphenyl)propanoyl-[(2-methylphenyl)methyl]amino]-3-phenyl-N-propan-2-ylpropanamide?

The InChIKey is LCUJFONCQBBIHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H38N2O2/c1-5-25-15-17-26(18-16-25)19-20-30(34)33(22-28-14-10-9-11-24(28)4)29(31(35)32-23(2)3)21-27-12-7-6-8-13-27/h6-18,23,29H,5,19-22H2,1-4H3,(H,32,35).

What are the key properties of 2-[3-(4-ethylphenyl)propanoyl-[(2-methylphenyl)methyl]amino]-3-phenyl-N-propan-2-ylpropanamide?

2-[3-(4-ethylphenyl)propanoyl-[(2-methylphenyl)methyl]amino]-3-phenyl-N-propan-2-ylpropanamide has a molecular weight of 470.66 g/mol, XLogP of 5.65, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-(4-ethylphenyl)propanoyl-[(2-methylphenyl)methyl]amino]-3-phenyl-N-propan-2-ylpropanamide is sourced from PubChem (CID 133195722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).