(2R)-N-cyclopentyl-2-(N-[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]anilino)-4-methylpentanamide

C28H36N6O4 — CID 40592877

About (2R)-N-cyclopentyl-2-(N-[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]anilino)-4-methylpentanamide

(2R)-N-cyclopentyl-2-(N-[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]anilino)-4-methylpentanamide (PubChem CID 40592877) has the molecular formula C28H36N6O4 and a molecular weight of 520.63 g/mol. Its IUPAC name is (2R)-N-cyclopentyl-2-(N-[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]anilino)-4-methylpentanamide.

Molecular Properties

• Compound Name: (2R)-N-cyclopentyl-2-(N-[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]anilino)-4-methylpentanamide
• PubChem CID: 40592877
• Molecular Formula: C28H36N6O4
• Molecular Weight: 520.63 g/mol
• Exact Mass: 520.28
• IUPAC Name: (2R)-N-cyclopentyl-2-(N-[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]anilino)-4-methylpentanamide
• SMILES: COc1ccc(-c2nnn(CC(=O)N(c3ccccc3)[C@H](CC(C)C)C(=O)NC3CCCC3)n2)cc1OC
• InChI: InChI=1S/C28H36N6O4/c1-19(2)16-23(28(36)29-21-10-8-9-11-21)34(22-12-6-5-7-13-22)26(35)18-33-31-27(30-32-33)20-14-15-24(37-3)25(17-20)38-4/h5-7,12-15,17,19,21,23H,8-11,16,18H2,1-4H3,(H,29,36)/t23-/m1/s1
• InChIKey: XEJMNISUUYPWFW-HSZRJFAPSA-N
• XLogP: 3.86
• TPSA: 111.47 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 11
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	520.63
LogP ≤ 5	3.86
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of (2R)-N-cyclopentyl-2-(N-[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]anilino)-4-methylpentanamide?

The IUPAC name of (2R)-N-cyclopentyl-2-(N-[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]anilino)-4-methylpentanamide (CID 40592877) is (2R)-N-cyclopentyl-2-(N-[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]anilino)-4-methylpentanamide.

What is the SMILES notation for (2R)-N-cyclopentyl-2-(N-[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]anilino)-4-methylpentanamide?

The canonical SMILES for (2R)-N-cyclopentyl-2-(N-[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]anilino)-4-methylpentanamide is COc1ccc(-c2nnn(CC(=O)N(c3ccccc3)[C@H](CC(C)C)C(=O)NC3CCCC3)n2)cc1OC.

What is the InChIKey of (2R)-N-cyclopentyl-2-(N-[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]anilino)-4-methylpentanamide?

The InChIKey is XEJMNISUUYPWFW-HSZRJFAPSA-N. The full InChI is InChI=1S/C28H36N6O4/c1-19(2)16-23(28(36)29-21-10-8-9-11-21)34(22-12-6-5-7-13-22)26(35)18-33-31-27(30-32-33)20-14-15-24(37-3)25(17-20)38-4/h5-7,12-15,17,19,21,23H,8-11,16,18H2,1-4H3,(H,29,36)/t23-/m1/s1.

What are the key properties of (2R)-N-cyclopentyl-2-(N-[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]anilino)-4-methylpentanamide?

(2R)-N-cyclopentyl-2-(N-[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]anilino)-4-methylpentanamide has a molecular weight of 520.63 g/mol, XLogP of 3.86, 11 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-N-cyclopentyl-2-(N-[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]anilino)-4-methylpentanamide is sourced from PubChem (CID 40592877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).