2-[3-(3,4-diethoxyphenyl)propanoyl-[(3-methylphenyl)methyl]amino]-N-propan-2-ylpropanamide

C27H38N2O4 — CID 132675428

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

2-[3-(3,4-diethoxyphenyl)propanoyl-[(3-methylphenyl)methyl]amino]-N-propan-2-ylpropanamide (PubChem CID 132675428) has the molecular formula C27H38N2O4 and a molecular weight of 454.61 g/mol. Its IUPAC name is 2-[3-(3,4-diethoxyphenyl)propanoyl-[(3-methylphenyl)methyl]amino]-N-propan-2-ylpropanamide.

Molecular Properties

• Compound Name: 2-[3-(3,4-diethoxyphenyl)propanoyl-[(3-methylphenyl)methyl]amino]-N-propan-2-ylpropanamide
• PubChem CID: 132675428
• Molecular Formula: C27H38N2O4
• Molecular Weight: 454.61 g/mol
• Exact Mass: 454.28
• IUPAC Name: 2-[3-(3,4-diethoxyphenyl)propanoyl-[(3-methylphenyl)methyl]amino]-N-propan-2-ylpropanamide
• SMILES: CCOc1ccc(CCC(=O)N(Cc2cccc(C)c2)C(C)C(=O)NC(C)C)cc1OCC
• InChI: InChI=1S/C27H38N2O4/c1-7-32-24-14-12-22(17-25(24)33-8-2)13-15-26(30)29(21(6)27(31)28-19(3)4)18-23-11-9-10-20(5)16-23/h9-12,14,16-17,19,21H,7-8,13,15,18H2,1-6H3,(H,28,31)
• InChIKey: COHALMLJNHSRFA-UHFFFAOYSA-N
• XLogP: 4.67
• TPSA: 67.87 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 12
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	454.61
LogP ≤ 5	4.67
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 2-[3-(3,4-diethoxyphenyl)propanoyl-[(3-methylphenyl)methyl]amino]-N-propan-2-ylpropanamide (CID 132675428) is 2-[3-(3,4-diethoxyphenyl)propanoyl-[(3-methylphenyl)methyl]amino]-N-propan-2-ylpropanamide.

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

The canonical SMILES for 2-[3-(3,4-diethoxyphenyl)propanoyl-[(3-methylphenyl)methyl]amino]-N-propan-2-ylpropanamide is CCOc1ccc(CCC(=O)N(Cc2cccc(C)c2)C(C)C(=O)NC(C)C)cc1OCC.

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

The InChIKey is COHALMLJNHSRFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H38N2O4/c1-7-32-24-14-12-22(17-25(24)33-8-2)13-15-26(30)29(21(6)27(31)28-19(3)4)18-23-11-9-10-20(5)16-23/h9-12,14,16-17,19,21H,7-8,13,15,18H2,1-6H3,(H,28,31).

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

2-[3-(3,4-diethoxyphenyl)propanoyl-[(3-methylphenyl)methyl]amino]-N-propan-2-ylpropanamide has a molecular weight of 454.61 g/mol, XLogP of 4.67, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-(3,4-diethoxyphenyl)propanoyl-[(3-methylphenyl)methyl]amino]-N-propan-2-ylpropanamide is sourced from PubChem (CID 132675428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).