(2R)-N-[(2S)-butan-2-yl]-2-[(2,6-dichlorophenyl)methyl-(3,3-diphenylpropanoyl)amino]butanamide

C30H34Cl2N2O2 — CID 100741054

About (2R)-N-[(2S)-butan-2-yl]-2-[(2,6-dichlorophenyl)methyl-(3,3-diphenylpropanoyl)amino]butanamide

(2R)-N-[(2S)-butan-2-yl]-2-[(2,6-dichlorophenyl)methyl-(3,3-diphenylpropanoyl)amino]butanamide (PubChem CID 100741054) has the molecular formula C30H34Cl2N2O2 and a molecular weight of 525.52 g/mol. Its IUPAC name is (2R)-N-[(2S)-butan-2-yl]-2-[(2,6-dichlorophenyl)methyl-(3,3-diphenylpropanoyl)amino]butanamide.

Molecular Properties

• Compound Name: (2R)-N-[(2S)-butan-2-yl]-2-[(2,6-dichlorophenyl)methyl-(3,3-diphenylpropanoyl)amino]butanamide
• PubChem CID: 100741054
• Molecular Formula: C30H34Cl2N2O2
• Molecular Weight: 525.52 g/mol
• Exact Mass: 524.20
• IUPAC Name: (2R)-N-[(2S)-butan-2-yl]-2-[(2,6-dichlorophenyl)methyl-(3,3-diphenylpropanoyl)amino]butanamide
• SMILES: CC[C@H](C(=O)N[C@@H](C)CC)N(Cc1c(Cl)cccc1Cl)C(=O)CC(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C30H34Cl2N2O2/c1-4-21(3)33-30(36)28(5-2)34(20-25-26(31)17-12-18-27(25)32)29(35)19-24(22-13-8-6-9-14-22)23-15-10-7-11-16-23/h6-18,21,24,28H,4-5,19-20H2,1-3H3,(H,33,36)/t21-,28+/m0/s1
• InChIKey: JKXJUEIUTCZIAM-RBTNQOKQSA-N
• XLogP: 7.24
• 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	525.52
LogP ≤ 5	7.24
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(2S)-butan-2-yl]-2-[(2,6-dichlorophenyl)methyl-(3,3-diphenylpropanoyl)amino]butanamide?

The IUPAC name of (2R)-N-[(2S)-butan-2-yl]-2-[(2,6-dichlorophenyl)methyl-(3,3-diphenylpropanoyl)amino]butanamide (CID 100741054) is (2R)-N-[(2S)-butan-2-yl]-2-[(2,6-dichlorophenyl)methyl-(3,3-diphenylpropanoyl)amino]butanamide.

What is the SMILES notation for (2R)-N-[(2S)-butan-2-yl]-2-[(2,6-dichlorophenyl)methyl-(3,3-diphenylpropanoyl)amino]butanamide?

The canonical SMILES for (2R)-N-[(2S)-butan-2-yl]-2-[(2,6-dichlorophenyl)methyl-(3,3-diphenylpropanoyl)amino]butanamide is CC[C@H](C(=O)N[C@@H](C)CC)N(Cc1c(Cl)cccc1Cl)C(=O)CC(c1ccccc1)c1ccccc1.

What is the InChIKey of (2R)-N-[(2S)-butan-2-yl]-2-[(2,6-dichlorophenyl)methyl-(3,3-diphenylpropanoyl)amino]butanamide?

The InChIKey is JKXJUEIUTCZIAM-RBTNQOKQSA-N. The full InChI is InChI=1S/C30H34Cl2N2O2/c1-4-21(3)33-30(36)28(5-2)34(20-25-26(31)17-12-18-27(25)32)29(35)19-24(22-13-8-6-9-14-22)23-15-10-7-11-16-23/h6-18,21,24,28H,4-5,19-20H2,1-3H3,(H,33,36)/t21-,28+/m0/s1.

What are the key properties of (2R)-N-[(2S)-butan-2-yl]-2-[(2,6-dichlorophenyl)methyl-(3,3-diphenylpropanoyl)amino]butanamide?

(2R)-N-[(2S)-butan-2-yl]-2-[(2,6-dichlorophenyl)methyl-(3,3-diphenylpropanoyl)amino]butanamide has a molecular weight of 525.52 g/mol, XLogP of 7.24, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-N-[(2S)-butan-2-yl]-2-[(2,6-dichlorophenyl)methyl-(3,3-diphenylpropanoyl)amino]butanamide is sourced from PubChem (CID 100741054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).