(2R)-N-[(2R)-butan-2-yl]-2-[(3-methylphenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]propanamide

C28H34N2O2 — CID 100540105

About (2R)-N-[(2R)-butan-2-yl]-2-[(3-methylphenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]propanamide

(2R)-N-[(2R)-butan-2-yl]-2-[(3-methylphenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]propanamide (PubChem CID 100540105) has the molecular formula C28H34N2O2 and a molecular weight of 430.59 g/mol. Its IUPAC name is (2R)-N-[(2R)-butan-2-yl]-2-[(3-methylphenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]propanamide.

Molecular Properties

• Compound Name: (2R)-N-[(2R)-butan-2-yl]-2-[(3-methylphenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]propanamide
• PubChem CID: 100540105
• Molecular Formula: C28H34N2O2
• Molecular Weight: 430.59 g/mol
• Exact Mass: 430.26
• IUPAC Name: (2R)-N-[(2R)-butan-2-yl]-2-[(3-methylphenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]propanamide
• SMILES: CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CCc1cccc2ccccc12
• InChI: InChI=1S/C28H34N2O2/c1-5-21(3)29-28(32)22(4)30(19-23-11-8-10-20(2)18-23)27(31)17-16-25-14-9-13-24-12-6-7-15-26(24)25/h6-15,18,21-22H,5,16-17,19H2,1-4H3,(H,29,32)/t21-,22-/m1/s1
• InChIKey: ZPMBZECMQFSXFU-FGZHOGPDSA-N
• XLogP: 5.41
• TPSA: 49.41 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 9
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	430.59
LogP ≤ 5	5.41
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-[(3-methylphenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]propanamide?

The IUPAC name of (2R)-N-[(2R)-butan-2-yl]-2-[(3-methylphenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]propanamide (CID 100540105) is (2R)-N-[(2R)-butan-2-yl]-2-[(3-methylphenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]propanamide.

What is the SMILES notation for (2R)-N-[(2R)-butan-2-yl]-2-[(3-methylphenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]propanamide?

The canonical SMILES for (2R)-N-[(2R)-butan-2-yl]-2-[(3-methylphenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]propanamide is CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CCc1cccc2ccccc12.

What is the InChIKey of (2R)-N-[(2R)-butan-2-yl]-2-[(3-methylphenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]propanamide?

The InChIKey is ZPMBZECMQFSXFU-FGZHOGPDSA-N. The full InChI is InChI=1S/C28H34N2O2/c1-5-21(3)29-28(32)22(4)30(19-23-11-8-10-20(2)18-23)27(31)17-16-25-14-9-13-24-12-6-7-15-26(24)25/h6-15,18,21-22H,5,16-17,19H2,1-4H3,(H,29,32)/t21-,22-/m1/s1.

What are the key properties of (2R)-N-[(2R)-butan-2-yl]-2-[(3-methylphenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]propanamide?

(2R)-N-[(2R)-butan-2-yl]-2-[(3-methylphenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]propanamide has a molecular weight of 430.59 g/mol, XLogP of 5.41, 9 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-[(3-methylphenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]propanamide is sourced from PubChem (CID 100540105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).