2-[(4-chlorophenyl)methyl-[3-(4-propan-2-ylphenyl)propanoyl]amino]-3-phenyl-N-propan-2-ylpropanamide

C31H37ClN2O2 — CID 133265472

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

2-[(4-chlorophenyl)methyl-[3-(4-propan-2-ylphenyl)propanoyl]amino]-3-phenyl-N-propan-2-ylpropanamide (PubChem CID 133265472) has the molecular formula C31H37ClN2O2 and a molecular weight of 505.10 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methyl-[3-(4-propan-2-ylphenyl)propanoyl]amino]-3-phenyl-N-propan-2-ylpropanamide.

Molecular Properties

• Compound Name: 2-[(4-chlorophenyl)methyl-[3-(4-propan-2-ylphenyl)propanoyl]amino]-3-phenyl-N-propan-2-ylpropanamide
• PubChem CID: 133265472
• Molecular Formula: C31H37ClN2O2
• Molecular Weight: 505.10 g/mol
• Exact Mass: 504.25
• IUPAC Name: 2-[(4-chlorophenyl)methyl-[3-(4-propan-2-ylphenyl)propanoyl]amino]-3-phenyl-N-propan-2-ylpropanamide
• SMILES: CC(C)NC(=O)C(Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CCc1ccc(C(C)C)cc1
• InChI: InChI=1S/C31H37ClN2O2/c1-22(2)27-15-10-24(11-16-27)14-19-30(35)34(21-26-12-17-28(32)18-13-26)29(31(36)33-23(3)4)20-25-8-6-5-7-9-25/h5-13,15-18,22-23,29H,14,19-21H2,1-4H3,(H,33,36)
• InChIKey: WSEVWJPOUJSZON-UHFFFAOYSA-N
• XLogP: 6.56
• TPSA: 49.41 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 11
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	505.10
LogP ≤ 5	6.56
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

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

The IUPAC name of 2-[(4-chlorophenyl)methyl-[3-(4-propan-2-ylphenyl)propanoyl]amino]-3-phenyl-N-propan-2-ylpropanamide (CID 133265472) is 2-[(4-chlorophenyl)methyl-[3-(4-propan-2-ylphenyl)propanoyl]amino]-3-phenyl-N-propan-2-ylpropanamide.

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

The canonical SMILES for 2-[(4-chlorophenyl)methyl-[3-(4-propan-2-ylphenyl)propanoyl]amino]-3-phenyl-N-propan-2-ylpropanamide is CC(C)NC(=O)C(Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CCc1ccc(C(C)C)cc1.

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

The InChIKey is WSEVWJPOUJSZON-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H37ClN2O2/c1-22(2)27-15-10-24(11-16-27)14-19-30(35)34(21-26-12-17-28(32)18-13-26)29(31(36)33-23(3)4)20-25-8-6-5-7-9-25/h5-13,15-18,22-23,29H,14,19-21H2,1-4H3,(H,33,36).

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

2-[(4-chlorophenyl)methyl-[3-(4-propan-2-ylphenyl)propanoyl]amino]-3-phenyl-N-propan-2-ylpropanamide has a molecular weight of 505.10 g/mol, XLogP of 6.56, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(4-chlorophenyl)methyl-[3-(4-propan-2-ylphenyl)propanoyl]amino]-3-phenyl-N-propan-2-ylpropanamide is sourced from PubChem (CID 133265472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).