N-[(2S)-1-(cyclohexylamino)-1-oxopropan-2-yl]-N-[(3-methoxyphenyl)methyl]-3,3-diphenylpropanamide

C32H38N2O3 — CID 100510531

About N-[(2S)-1-(cyclohexylamino)-1-oxopropan-2-yl]-N-[(3-methoxyphenyl)methyl]-3,3-diphenylpropanamide

N-[(2S)-1-(cyclohexylamino)-1-oxopropan-2-yl]-N-[(3-methoxyphenyl)methyl]-3,3-diphenylpropanamide (PubChem CID 100510531) has the molecular formula C32H38N2O3 and a molecular weight of 498.67 g/mol. Its IUPAC name is N-[(2S)-1-(cyclohexylamino)-1-oxopropan-2-yl]-N-[(3-methoxyphenyl)methyl]-3,3-diphenylpropanamide.

Molecular Properties

• Compound Name: N-[(2S)-1-(cyclohexylamino)-1-oxopropan-2-yl]-N-[(3-methoxyphenyl)methyl]-3,3-diphenylpropanamide
• PubChem CID: 100510531
• Molecular Formula: C32H38N2O3
• Molecular Weight: 498.67 g/mol
• Exact Mass: 498.29
• IUPAC Name: N-[(2S)-1-(cyclohexylamino)-1-oxopropan-2-yl]-N-[(3-methoxyphenyl)methyl]-3,3-diphenylpropanamide
• SMILES: COc1cccc(CN(C(=O)CC(c2ccccc2)c2ccccc2)[C@@H](C)C(=O)NC2CCCCC2)c1
• InChI: InChI=1S/C32H38N2O3/c1-24(32(36)33-28-18-10-5-11-19-28)34(23-25-13-12-20-29(21-25)37-2)31(35)22-30(26-14-6-3-7-15-26)27-16-8-4-9-17-27/h3-4,6-9,12-17,20-21,24,28,30H,5,10-11,18-19,22-23H2,1-2H3,(H,33,36)/t24-/m0/s1
• InChIKey: NVZGAPYJWDQHBI-DEOSSOPVSA-N
• XLogP: 6.08
• TPSA: 58.64 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 10
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	498.67
LogP ≤ 5	6.08
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-(cyclohexylamino)-1-oxopropan-2-yl]-N-[(3-methoxyphenyl)methyl]-3,3-diphenylpropanamide?

The IUPAC name of N-[(2S)-1-(cyclohexylamino)-1-oxopropan-2-yl]-N-[(3-methoxyphenyl)methyl]-3,3-diphenylpropanamide (CID 100510531) is N-[(2S)-1-(cyclohexylamino)-1-oxopropan-2-yl]-N-[(3-methoxyphenyl)methyl]-3,3-diphenylpropanamide.

What is the SMILES notation for N-[(2S)-1-(cyclohexylamino)-1-oxopropan-2-yl]-N-[(3-methoxyphenyl)methyl]-3,3-diphenylpropanamide?

The canonical SMILES for N-[(2S)-1-(cyclohexylamino)-1-oxopropan-2-yl]-N-[(3-methoxyphenyl)methyl]-3,3-diphenylpropanamide is COc1cccc(CN(C(=O)CC(c2ccccc2)c2ccccc2)[C@@H](C)C(=O)NC2CCCCC2)c1.

What is the InChIKey of N-[(2S)-1-(cyclohexylamino)-1-oxopropan-2-yl]-N-[(3-methoxyphenyl)methyl]-3,3-diphenylpropanamide?

The InChIKey is NVZGAPYJWDQHBI-DEOSSOPVSA-N. The full InChI is InChI=1S/C32H38N2O3/c1-24(32(36)33-28-18-10-5-11-19-28)34(23-25-13-12-20-29(21-25)37-2)31(35)22-30(26-14-6-3-7-15-26)27-16-8-4-9-17-27/h3-4,6-9,12-17,20-21,24,28,30H,5,10-11,18-19,22-23H2,1-2H3,(H,33,36)/t24-/m0/s1.

What are the key properties of N-[(2S)-1-(cyclohexylamino)-1-oxopropan-2-yl]-N-[(3-methoxyphenyl)methyl]-3,3-diphenylpropanamide?

N-[(2S)-1-(cyclohexylamino)-1-oxopropan-2-yl]-N-[(3-methoxyphenyl)methyl]-3,3-diphenylpropanamide has a molecular weight of 498.67 g/mol, XLogP of 6.08, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2S)-1-(cyclohexylamino)-1-oxopropan-2-yl]-N-[(3-methoxyphenyl)methyl]-3,3-diphenylpropanamide is sourced from PubChem (CID 100510531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).