2-[(2-amino-2-methylpropanoyl)amino]-N-[1-(1-naphthalen-2-yl-2-oxo-2-pyrrolidin-1-ylethyl)imidazol-4-yl]-5-phenylpentanamide

C34H40N6O3 — CID 20710787

About 2-[(2-amino-2-methylpropanoyl)amino]-N-[1-(1-naphthalen-2-yl-2-oxo-2-pyrrolidin-1-ylethyl)imidazol-4-yl]-5-phenylpentanamide

2-[(2-amino-2-methylpropanoyl)amino]-N-[1-(1-naphthalen-2-yl-2-oxo-2-pyrrolidin-1-ylethyl)imidazol-4-yl]-5-phenylpentanamide (PubChem CID 20710787) has the molecular formula C34H40N6O3 and a molecular weight of 580.73 g/mol. Its IUPAC name is 2-[(2-amino-2-methylpropanoyl)amino]-N-[1-(1-naphthalen-2-yl-2-oxo-2-pyrrolidin-1-ylethyl)imidazol-4-yl]-5-phenylpentanamide.

Molecular Properties

• Compound Name: 2-[(2-amino-2-methylpropanoyl)amino]-N-[1-(1-naphthalen-2-yl-2-oxo-2-pyrrolidin-1-ylethyl)imidazol-4-yl]-5-phenylpentanamide
• PubChem CID: 20710787
• Molecular Formula: C34H40N6O3
• Molecular Weight: 580.73 g/mol
• Exact Mass: 580.32
• IUPAC Name: 2-[(2-amino-2-methylpropanoyl)amino]-N-[1-(1-naphthalen-2-yl-2-oxo-2-pyrrolidin-1-ylethyl)imidazol-4-yl]-5-phenylpentanamide
• SMILES: CC(C)(N)C(=O)NC(CCCc1ccccc1)C(=O)Nc1cn(C(C(=O)N2CCCC2)c2ccc3ccccc3c2)cn1
• InChI: InChI=1S/C34H40N6O3/c1-34(2,35)33(43)37-28(16-10-13-24-11-4-3-5-12-24)31(41)38-29-22-40(23-36-29)30(32(42)39-19-8-9-20-39)27-18-17-25-14-6-7-15-26(25)21-27/h3-7,11-12,14-15,17-18,21-23,28,30H,8-10,13,16,19-20,35H2,1-2H3,(H,37,43)(H,38,41)
• InChIKey: QKIXSZZYDPUFFO-UHFFFAOYSA-N
• XLogP: 4.43
• TPSA: 122.35 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 11
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	580.73
LogP ≤ 5	4.43
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-2-methylpropanoyl)amino]-N-[1-(1-naphthalen-2-yl-2-oxo-2-pyrrolidin-1-ylethyl)imidazol-4-yl]-5-phenylpentanamide?

The IUPAC name of 2-[(2-amino-2-methylpropanoyl)amino]-N-[1-(1-naphthalen-2-yl-2-oxo-2-pyrrolidin-1-ylethyl)imidazol-4-yl]-5-phenylpentanamide (CID 20710787) is 2-[(2-amino-2-methylpropanoyl)amino]-N-[1-(1-naphthalen-2-yl-2-oxo-2-pyrrolidin-1-ylethyl)imidazol-4-yl]-5-phenylpentanamide.

What is the SMILES notation for 2-[(2-amino-2-methylpropanoyl)amino]-N-[1-(1-naphthalen-2-yl-2-oxo-2-pyrrolidin-1-ylethyl)imidazol-4-yl]-5-phenylpentanamide?

The canonical SMILES for 2-[(2-amino-2-methylpropanoyl)amino]-N-[1-(1-naphthalen-2-yl-2-oxo-2-pyrrolidin-1-ylethyl)imidazol-4-yl]-5-phenylpentanamide is CC(C)(N)C(=O)NC(CCCc1ccccc1)C(=O)Nc1cn(C(C(=O)N2CCCC2)c2ccc3ccccc3c2)cn1.

What is the InChIKey of 2-[(2-amino-2-methylpropanoyl)amino]-N-[1-(1-naphthalen-2-yl-2-oxo-2-pyrrolidin-1-ylethyl)imidazol-4-yl]-5-phenylpentanamide?

The InChIKey is QKIXSZZYDPUFFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H40N6O3/c1-34(2,35)33(43)37-28(16-10-13-24-11-4-3-5-12-24)31(41)38-29-22-40(23-36-29)30(32(42)39-19-8-9-20-39)27-18-17-25-14-6-7-15-26(25)21-27/h3-7,11-12,14-15,17-18,21-23,28,30H,8-10,13,16,19-20,35H2,1-2H3,(H,37,43)(H,38,41).

What are the key properties of 2-[(2-amino-2-methylpropanoyl)amino]-N-[1-(1-naphthalen-2-yl-2-oxo-2-pyrrolidin-1-ylethyl)imidazol-4-yl]-5-phenylpentanamide?

2-[(2-amino-2-methylpropanoyl)amino]-N-[1-(1-naphthalen-2-yl-2-oxo-2-pyrrolidin-1-ylethyl)imidazol-4-yl]-5-phenylpentanamide has a molecular weight of 580.73 g/mol, XLogP of 4.43, 11 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(2-amino-2-methylpropanoyl)amino]-N-[1-(1-naphthalen-2-yl-2-oxo-2-pyrrolidin-1-ylethyl)imidazol-4-yl]-5-phenylpentanamide is sourced from PubChem (CID 20710787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).