(2R)-N-cyclopentyl-2-(furan-2-yl)-2-(N-[2-[5-(4-methoxyphenyl)tetrazol-2-yl]acetyl]-2-methylanilino)acetamide

C28H30N6O4 — CID 25448152

About (2R)-N-cyclopentyl-2-(furan-2-yl)-2-(N-[2-[5-(4-methoxyphenyl)tetrazol-2-yl]acetyl]-2-methylanilino)acetamide

(2R)-N-cyclopentyl-2-(furan-2-yl)-2-(N-[2-[5-(4-methoxyphenyl)tetrazol-2-yl]acetyl]-2-methylanilino)acetamide (PubChem CID 25448152) has the molecular formula C28H30N6O4 and a molecular weight of 514.59 g/mol. Its IUPAC name is (2R)-N-cyclopentyl-2-(furan-2-yl)-2-(N-[2-[5-(4-methoxyphenyl)tetrazol-2-yl]acetyl]-2-methylanilino)acetamide.

Molecular Properties

• Compound Name: (2R)-N-cyclopentyl-2-(furan-2-yl)-2-(N-[2-[5-(4-methoxyphenyl)tetrazol-2-yl]acetyl]-2-methylanilino)acetamide
• PubChem CID: 25448152
• Molecular Formula: C28H30N6O4
• Molecular Weight: 514.59 g/mol
• Exact Mass: 514.23
• IUPAC Name: (2R)-N-cyclopentyl-2-(furan-2-yl)-2-(N-[2-[5-(4-methoxyphenyl)tetrazol-2-yl]acetyl]-2-methylanilino)acetamide
• SMILES: COc1ccc(-c2nnn(CC(=O)N(c3ccccc3C)[C@@H](C(=O)NC3CCCC3)c3ccco3)n2)cc1
• InChI: InChI=1S/C28H30N6O4/c1-19-8-3-6-11-23(19)34(26(24-12-7-17-38-24)28(36)29-21-9-4-5-10-21)25(35)18-33-31-27(30-32-33)20-13-15-22(37-2)16-14-20/h3,6-8,11-17,21,26H,4-5,9-10,18H2,1-2H3,(H,29,36)/t26-/m1/s1
• InChIKey: BCDSCWXBTUDQFL-AREMUKBSSA-N
• XLogP: 4.08
• TPSA: 115.38 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	514.59
LogP ≤ 5	4.08
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of (2R)-N-cyclopentyl-2-(furan-2-yl)-2-(N-[2-[5-(4-methoxyphenyl)tetrazol-2-yl]acetyl]-2-methylanilino)acetamide?

The IUPAC name of (2R)-N-cyclopentyl-2-(furan-2-yl)-2-(N-[2-[5-(4-methoxyphenyl)tetrazol-2-yl]acetyl]-2-methylanilino)acetamide (CID 25448152) is (2R)-N-cyclopentyl-2-(furan-2-yl)-2-(N-[2-[5-(4-methoxyphenyl)tetrazol-2-yl]acetyl]-2-methylanilino)acetamide.

What is the SMILES notation for (2R)-N-cyclopentyl-2-(furan-2-yl)-2-(N-[2-[5-(4-methoxyphenyl)tetrazol-2-yl]acetyl]-2-methylanilino)acetamide?

The canonical SMILES for (2R)-N-cyclopentyl-2-(furan-2-yl)-2-(N-[2-[5-(4-methoxyphenyl)tetrazol-2-yl]acetyl]-2-methylanilino)acetamide is COc1ccc(-c2nnn(CC(=O)N(c3ccccc3C)[C@@H](C(=O)NC3CCCC3)c3ccco3)n2)cc1.

What is the InChIKey of (2R)-N-cyclopentyl-2-(furan-2-yl)-2-(N-[2-[5-(4-methoxyphenyl)tetrazol-2-yl]acetyl]-2-methylanilino)acetamide?

The InChIKey is BCDSCWXBTUDQFL-AREMUKBSSA-N. The full InChI is InChI=1S/C28H30N6O4/c1-19-8-3-6-11-23(19)34(26(24-12-7-17-38-24)28(36)29-21-9-4-5-10-21)25(35)18-33-31-27(30-32-33)20-13-15-22(37-2)16-14-20/h3,6-8,11-17,21,26H,4-5,9-10,18H2,1-2H3,(H,29,36)/t26-/m1/s1.

What are the key properties of (2R)-N-cyclopentyl-2-(furan-2-yl)-2-(N-[2-[5-(4-methoxyphenyl)tetrazol-2-yl]acetyl]-2-methylanilino)acetamide?

(2R)-N-cyclopentyl-2-(furan-2-yl)-2-(N-[2-[5-(4-methoxyphenyl)tetrazol-2-yl]acetyl]-2-methylanilino)acetamide has a molecular weight of 514.59 g/mol, XLogP of 4.08, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-N-cyclopentyl-2-(furan-2-yl)-2-(N-[2-[5-(4-methoxyphenyl)tetrazol-2-yl]acetyl]-2-methylanilino)acetamide is sourced from PubChem (CID 25448152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).