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

C33H42N2O2 — CID 133195664

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

2-[3-(4-tert-butylphenyl)propanoyl-[(2-methylphenyl)methyl]amino]-3-phenyl-N-propan-2-ylpropanamide (PubChem CID 133195664) has the molecular formula C33H42N2O2 and a molecular weight of 498.71 g/mol. Its IUPAC name is 2-[3-(4-tert-butylphenyl)propanoyl-[(2-methylphenyl)methyl]amino]-3-phenyl-N-propan-2-ylpropanamide.

Molecular Properties

• Compound Name: 2-[3-(4-tert-butylphenyl)propanoyl-[(2-methylphenyl)methyl]amino]-3-phenyl-N-propan-2-ylpropanamide
• PubChem CID: 133195664
• Molecular Formula: C33H42N2O2
• Molecular Weight: 498.71 g/mol
• Exact Mass: 498.32
• IUPAC Name: 2-[3-(4-tert-butylphenyl)propanoyl-[(2-methylphenyl)methyl]amino]-3-phenyl-N-propan-2-ylpropanamide
• SMILES: Cc1ccccc1CN(C(=O)CCc1ccc(C(C)(C)C)cc1)C(Cc1ccccc1)C(=O)NC(C)C
• InChI: InChI=1S/C33H42N2O2/c1-24(2)34-32(37)30(22-27-13-8-7-9-14-27)35(23-28-15-11-10-12-25(28)3)31(36)21-18-26-16-19-29(20-17-26)33(4,5)6/h7-17,19-20,24,30H,18,21-23H2,1-6H3,(H,34,37)
• InChIKey: ASKIKWCSYZGXNQ-UHFFFAOYSA-N
• XLogP: 6.39
• TPSA: 49.41 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 10
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	498.71
LogP ≤ 5	6.39
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

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

The IUPAC name of 2-[3-(4-tert-butylphenyl)propanoyl-[(2-methylphenyl)methyl]amino]-3-phenyl-N-propan-2-ylpropanamide (CID 133195664) is 2-[3-(4-tert-butylphenyl)propanoyl-[(2-methylphenyl)methyl]amino]-3-phenyl-N-propan-2-ylpropanamide.

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

The canonical SMILES for 2-[3-(4-tert-butylphenyl)propanoyl-[(2-methylphenyl)methyl]amino]-3-phenyl-N-propan-2-ylpropanamide is Cc1ccccc1CN(C(=O)CCc1ccc(C(C)(C)C)cc1)C(Cc1ccccc1)C(=O)NC(C)C.

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

The InChIKey is ASKIKWCSYZGXNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H42N2O2/c1-24(2)34-32(37)30(22-27-13-8-7-9-14-27)35(23-28-15-11-10-12-25(28)3)31(36)21-18-26-16-19-29(20-17-26)33(4,5)6/h7-17,19-20,24,30H,18,21-23H2,1-6H3,(H,34,37).

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

2-[3-(4-tert-butylphenyl)propanoyl-[(2-methylphenyl)methyl]amino]-3-phenyl-N-propan-2-ylpropanamide has a molecular weight of 498.71 g/mol, XLogP of 6.39, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-(4-tert-butylphenyl)propanoyl-[(2-methylphenyl)methyl]amino]-3-phenyl-N-propan-2-ylpropanamide is sourced from PubChem (CID 133195664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).