(2R)-N-tert-butyl-2-[cyclopentyl-[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]amino]-2-(furan-2-yl)acetamide

C26H34N6O5 — CID 40581001

About (2R)-N-tert-butyl-2-[cyclopentyl-[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]amino]-2-(furan-2-yl)acetamide

(2R)-N-tert-butyl-2-[cyclopentyl-[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]amino]-2-(furan-2-yl)acetamide (PubChem CID 40581001) has the molecular formula C26H34N6O5 and a molecular weight of 510.60 g/mol. Its IUPAC name is (2R)-N-tert-butyl-2-[cyclopentyl-[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]amino]-2-(furan-2-yl)acetamide.

Molecular Properties

• Compound Name: (2R)-N-tert-butyl-2-[cyclopentyl-[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]amino]-2-(furan-2-yl)acetamide
• PubChem CID: 40581001
• Molecular Formula: C26H34N6O5
• Molecular Weight: 510.60 g/mol
• Exact Mass: 510.26
• IUPAC Name: (2R)-N-tert-butyl-2-[cyclopentyl-[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]amino]-2-(furan-2-yl)acetamide
• SMILES: COc1ccc(-c2nnn(CC(=O)N(C3CCCC3)[C@@H](C(=O)NC(C)(C)C)c3ccco3)n2)cc1OC
• InChI: InChI=1S/C26H34N6O5/c1-26(2,3)27-25(34)23(20-11-8-14-37-20)32(18-9-6-7-10-18)22(33)16-31-29-24(28-30-31)17-12-13-19(35-4)21(15-17)36-5/h8,11-15,18,23H,6-7,9-10,16H2,1-5H3,(H,27,34)/t23-/m1/s1
• InChIKey: OQZCJFFLIPCOJI-HSZRJFAPSA-N
• XLogP: 3.38
• TPSA: 124.61 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 9
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	510.60
LogP ≤ 5	3.38
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of (2R)-N-tert-butyl-2-[cyclopentyl-[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]amino]-2-(furan-2-yl)acetamide?

The IUPAC name of (2R)-N-tert-butyl-2-[cyclopentyl-[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]amino]-2-(furan-2-yl)acetamide (CID 40581001) is (2R)-N-tert-butyl-2-[cyclopentyl-[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]amino]-2-(furan-2-yl)acetamide.

What is the SMILES notation for (2R)-N-tert-butyl-2-[cyclopentyl-[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]amino]-2-(furan-2-yl)acetamide?

The canonical SMILES for (2R)-N-tert-butyl-2-[cyclopentyl-[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]amino]-2-(furan-2-yl)acetamide is COc1ccc(-c2nnn(CC(=O)N(C3CCCC3)[C@@H](C(=O)NC(C)(C)C)c3ccco3)n2)cc1OC.

What is the InChIKey of (2R)-N-tert-butyl-2-[cyclopentyl-[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]amino]-2-(furan-2-yl)acetamide?

The InChIKey is OQZCJFFLIPCOJI-HSZRJFAPSA-N. The full InChI is InChI=1S/C26H34N6O5/c1-26(2,3)27-25(34)23(20-11-8-14-37-20)32(18-9-6-7-10-18)22(33)16-31-29-24(28-30-31)17-12-13-19(35-4)21(15-17)36-5/h8,11-15,18,23H,6-7,9-10,16H2,1-5H3,(H,27,34)/t23-/m1/s1.

What are the key properties of (2R)-N-tert-butyl-2-[cyclopentyl-[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]amino]-2-(furan-2-yl)acetamide?

(2R)-N-tert-butyl-2-[cyclopentyl-[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]amino]-2-(furan-2-yl)acetamide has a molecular weight of 510.60 g/mol, XLogP of 3.38, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-N-tert-butyl-2-[cyclopentyl-[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]amino]-2-(furan-2-yl)acetamide is sourced from PubChem (CID 40581001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).