N-[2-[cyclopentyl(methyl)amino]-5-[2-(2H-tetrazol-5-yl)phenyl]phenyl]-2-(4-methylphenyl)acetamide

C28H30N6O — CID 158702308

About N-[2-[cyclopentyl(methyl)amino]-5-[2-(2H-tetrazol-5-yl)phenyl]phenyl]-2-(4-methylphenyl)acetamide

N-[2-[cyclopentyl(methyl)amino]-5-[2-(2H-tetrazol-5-yl)phenyl]phenyl]-2-(4-methylphenyl)acetamide (PubChem CID 158702308) has the molecular formula C28H30N6O and a molecular weight of 466.59 g/mol. Its IUPAC name is N-[2-[cyclopentyl(methyl)amino]-5-[2-(2H-tetrazol-5-yl)phenyl]phenyl]-2-(4-methylphenyl)acetamide.

Molecular Properties

• Compound Name: N-[2-[cyclopentyl(methyl)amino]-5-[2-(2H-tetrazol-5-yl)phenyl]phenyl]-2-(4-methylphenyl)acetamide
• PubChem CID: 158702308
• Molecular Formula: C28H30N6O
• Molecular Weight: 466.59 g/mol
• Exact Mass: 466.25
• IUPAC Name: N-[2-[cyclopentyl(methyl)amino]-5-[2-(2H-tetrazol-5-yl)phenyl]phenyl]-2-(4-methylphenyl)acetamide
• SMILES: Cc1ccc(CC(=O)Nc2cc(-c3ccccc3-c3nn[nH]n3)ccc2N(C)C2CCCC2)cc1
• InChI: InChI=1S/C28H30N6O/c1-19-11-13-20(14-12-19)17-27(35)29-25-18-21(15-16-26(25)34(2)22-7-3-4-8-22)23-9-5-6-10-24(23)28-30-32-33-31-28/h5-6,9-16,18,22H,3-4,7-8,17H2,1-2H3,(H,29,35)(H,30,31,32,33)
• InChIKey: IHRPQPDXMBZFRQ-UHFFFAOYSA-N
• XLogP: 5.40
• TPSA: 86.80 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	466.59
LogP ≤ 5	5.40
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[2-[cyclopentyl(methyl)amino]-5-[2-(2H-tetrazol-5-yl)phenyl]phenyl]-2-(4-methylphenyl)acetamide?

The IUPAC name of N-[2-[cyclopentyl(methyl)amino]-5-[2-(2H-tetrazol-5-yl)phenyl]phenyl]-2-(4-methylphenyl)acetamide (CID 158702308) is N-[2-[cyclopentyl(methyl)amino]-5-[2-(2H-tetrazol-5-yl)phenyl]phenyl]-2-(4-methylphenyl)acetamide.

What is the SMILES notation for N-[2-[cyclopentyl(methyl)amino]-5-[2-(2H-tetrazol-5-yl)phenyl]phenyl]-2-(4-methylphenyl)acetamide?

The canonical SMILES for N-[2-[cyclopentyl(methyl)amino]-5-[2-(2H-tetrazol-5-yl)phenyl]phenyl]-2-(4-methylphenyl)acetamide is Cc1ccc(CC(=O)Nc2cc(-c3ccccc3-c3nn[nH]n3)ccc2N(C)C2CCCC2)cc1.

What is the InChIKey of N-[2-[cyclopentyl(methyl)amino]-5-[2-(2H-tetrazol-5-yl)phenyl]phenyl]-2-(4-methylphenyl)acetamide?

The InChIKey is IHRPQPDXMBZFRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N6O/c1-19-11-13-20(14-12-19)17-27(35)29-25-18-21(15-16-26(25)34(2)22-7-3-4-8-22)23-9-5-6-10-24(23)28-30-32-33-31-28/h5-6,9-16,18,22H,3-4,7-8,17H2,1-2H3,(H,29,35)(H,30,31,32,33).

What are the key properties of N-[2-[cyclopentyl(methyl)amino]-5-[2-(2H-tetrazol-5-yl)phenyl]phenyl]-2-(4-methylphenyl)acetamide?

N-[2-[cyclopentyl(methyl)amino]-5-[2-(2H-tetrazol-5-yl)phenyl]phenyl]-2-(4-methylphenyl)acetamide has a molecular weight of 466.59 g/mol, XLogP of 5.40, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[cyclopentyl(methyl)amino]-5-[2-(2H-tetrazol-5-yl)phenyl]phenyl]-2-(4-methylphenyl)acetamide is sourced from PubChem (CID 158702308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).