(2R)-N-[(2R)-butan-2-yl]-2-[(2-methylphenyl)methyl-[3-(4-propan-2-ylphenyl)propanoyl]amino]propanamide

C27H38N2O2 — CID 100530777

About (2R)-N-[(2R)-butan-2-yl]-2-[(2-methylphenyl)methyl-[3-(4-propan-2-ylphenyl)propanoyl]amino]propanamide

(2R)-N-[(2R)-butan-2-yl]-2-[(2-methylphenyl)methyl-[3-(4-propan-2-ylphenyl)propanoyl]amino]propanamide (PubChem CID 100530777) has the molecular formula C27H38N2O2 and a molecular weight of 422.61 g/mol. Its IUPAC name is (2R)-N-[(2R)-butan-2-yl]-2-[(2-methylphenyl)methyl-[3-(4-propan-2-ylphenyl)propanoyl]amino]propanamide.

Molecular Properties

• Compound Name: (2R)-N-[(2R)-butan-2-yl]-2-[(2-methylphenyl)methyl-[3-(4-propan-2-ylphenyl)propanoyl]amino]propanamide
• PubChem CID: 100530777
• Molecular Formula: C27H38N2O2
• Molecular Weight: 422.61 g/mol
• Exact Mass: 422.29
• IUPAC Name: (2R)-N-[(2R)-butan-2-yl]-2-[(2-methylphenyl)methyl-[3-(4-propan-2-ylphenyl)propanoyl]amino]propanamide
• SMILES: CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CCc1ccc(C(C)C)cc1
• InChI: InChI=1S/C27H38N2O2/c1-7-21(5)28-27(31)22(6)29(18-25-11-9-8-10-20(25)4)26(30)17-14-23-12-15-24(16-13-23)19(2)3/h8-13,15-16,19,21-22H,7,14,17-18H2,1-6H3,(H,28,31)/t21-,22-/m1/s1
• InChIKey: RDEADWXCHGCZCC-FGZHOGPDSA-N
• XLogP: 5.38
• TPSA: 49.41 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 10
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	422.61
LogP ≤ 5	5.38
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(2R)-butan-2-yl]-2-[(2-methylphenyl)methyl-[3-(4-propan-2-ylphenyl)propanoyl]amino]propanamide?

The IUPAC name of (2R)-N-[(2R)-butan-2-yl]-2-[(2-methylphenyl)methyl-[3-(4-propan-2-ylphenyl)propanoyl]amino]propanamide (CID 100530777) is (2R)-N-[(2R)-butan-2-yl]-2-[(2-methylphenyl)methyl-[3-(4-propan-2-ylphenyl)propanoyl]amino]propanamide.

What is the SMILES notation for (2R)-N-[(2R)-butan-2-yl]-2-[(2-methylphenyl)methyl-[3-(4-propan-2-ylphenyl)propanoyl]amino]propanamide?

The canonical SMILES for (2R)-N-[(2R)-butan-2-yl]-2-[(2-methylphenyl)methyl-[3-(4-propan-2-ylphenyl)propanoyl]amino]propanamide is CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CCc1ccc(C(C)C)cc1.

What is the InChIKey of (2R)-N-[(2R)-butan-2-yl]-2-[(2-methylphenyl)methyl-[3-(4-propan-2-ylphenyl)propanoyl]amino]propanamide?

The InChIKey is RDEADWXCHGCZCC-FGZHOGPDSA-N. The full InChI is InChI=1S/C27H38N2O2/c1-7-21(5)28-27(31)22(6)29(18-25-11-9-8-10-20(25)4)26(30)17-14-23-12-15-24(16-13-23)19(2)3/h8-13,15-16,19,21-22H,7,14,17-18H2,1-6H3,(H,28,31)/t21-,22-/m1/s1.

What are the key properties of (2R)-N-[(2R)-butan-2-yl]-2-[(2-methylphenyl)methyl-[3-(4-propan-2-ylphenyl)propanoyl]amino]propanamide?

(2R)-N-[(2R)-butan-2-yl]-2-[(2-methylphenyl)methyl-[3-(4-propan-2-ylphenyl)propanoyl]amino]propanamide has a molecular weight of 422.61 g/mol, XLogP of 5.38, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-N-[(2R)-butan-2-yl]-2-[(2-methylphenyl)methyl-[3-(4-propan-2-ylphenyl)propanoyl]amino]propanamide is sourced from PubChem (CID 100530777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).