N-cyclohexyl-2-[(4-fluorophenyl)methyl-[3-(4-propan-2-ylphenyl)propanoyl]amino]-3-phenylpropanamide

C34H41FN2O2 — CID 133252741

About N-cyclohexyl-2-[(4-fluorophenyl)methyl-[3-(4-propan-2-ylphenyl)propanoyl]amino]-3-phenylpropanamide

N-cyclohexyl-2-[(4-fluorophenyl)methyl-[3-(4-propan-2-ylphenyl)propanoyl]amino]-3-phenylpropanamide (PubChem CID 133252741) has the molecular formula C34H41FN2O2 and a molecular weight of 528.71 g/mol. Its IUPAC name is N-cyclohexyl-2-[(4-fluorophenyl)methyl-[3-(4-propan-2-ylphenyl)propanoyl]amino]-3-phenylpropanamide.

Molecular Properties

• Compound Name: N-cyclohexyl-2-[(4-fluorophenyl)methyl-[3-(4-propan-2-ylphenyl)propanoyl]amino]-3-phenylpropanamide
• PubChem CID: 133252741
• Molecular Formula: C34H41FN2O2
• Molecular Weight: 528.71 g/mol
• Exact Mass: 528.32
• IUPAC Name: N-cyclohexyl-2-[(4-fluorophenyl)methyl-[3-(4-propan-2-ylphenyl)propanoyl]amino]-3-phenylpropanamide
• SMILES: CC(C)c1ccc(CCC(=O)N(Cc2ccc(F)cc2)C(Cc2ccccc2)C(=O)NC2CCCCC2)cc1
• InChI: InChI=1S/C34H41FN2O2/c1-25(2)29-18-13-26(14-19-29)17-22-33(38)37(24-28-15-20-30(35)21-16-28)32(23-27-9-5-3-6-10-27)34(39)36-31-11-7-4-8-12-31/h3,5-6,9-10,13-16,18-21,25,31-32H,4,7-8,11-12,17,22-24H2,1-2H3,(H,36,39)
• InChIKey: NDHLTIUDQWHFBH-UHFFFAOYSA-N
• XLogP: 6.97
• TPSA: 49.41 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 11
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	528.71
LogP ≤ 5	6.97
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[(4-fluorophenyl)methyl-[3-(4-propan-2-ylphenyl)propanoyl]amino]-3-phenylpropanamide?

The IUPAC name of N-cyclohexyl-2-[(4-fluorophenyl)methyl-[3-(4-propan-2-ylphenyl)propanoyl]amino]-3-phenylpropanamide (CID 133252741) is N-cyclohexyl-2-[(4-fluorophenyl)methyl-[3-(4-propan-2-ylphenyl)propanoyl]amino]-3-phenylpropanamide.

What is the SMILES notation for N-cyclohexyl-2-[(4-fluorophenyl)methyl-[3-(4-propan-2-ylphenyl)propanoyl]amino]-3-phenylpropanamide?

The canonical SMILES for N-cyclohexyl-2-[(4-fluorophenyl)methyl-[3-(4-propan-2-ylphenyl)propanoyl]amino]-3-phenylpropanamide is CC(C)c1ccc(CCC(=O)N(Cc2ccc(F)cc2)C(Cc2ccccc2)C(=O)NC2CCCCC2)cc1.

What is the InChIKey of N-cyclohexyl-2-[(4-fluorophenyl)methyl-[3-(4-propan-2-ylphenyl)propanoyl]amino]-3-phenylpropanamide?

The InChIKey is NDHLTIUDQWHFBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H41FN2O2/c1-25(2)29-18-13-26(14-19-29)17-22-33(38)37(24-28-15-20-30(35)21-16-28)32(23-27-9-5-3-6-10-27)34(39)36-31-11-7-4-8-12-31/h3,5-6,9-10,13-16,18-21,25,31-32H,4,7-8,11-12,17,22-24H2,1-2H3,(H,36,39).

What are the key properties of N-cyclohexyl-2-[(4-fluorophenyl)methyl-[3-(4-propan-2-ylphenyl)propanoyl]amino]-3-phenylpropanamide?

N-cyclohexyl-2-[(4-fluorophenyl)methyl-[3-(4-propan-2-ylphenyl)propanoyl]amino]-3-phenylpropanamide has a molecular weight of 528.71 g/mol, XLogP of 6.97, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclohexyl-2-[(4-fluorophenyl)methyl-[3-(4-propan-2-ylphenyl)propanoyl]amino]-3-phenylpropanamide is sourced from PubChem (CID 133252741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).