N-cyclopentyl-2-[furan-2-ylmethyl-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]amino]-2-(4-hydroxyphenyl)acetamide

C28H30N6O4 — CID 3180209

About N-cyclopentyl-2-[furan-2-ylmethyl-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]amino]-2-(4-hydroxyphenyl)acetamide

N-cyclopentyl-2-[furan-2-ylmethyl-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]amino]-2-(4-hydroxyphenyl)acetamide (PubChem CID 3180209) has the molecular formula C28H30N6O4 and a molecular weight of 514.59 g/mol. Its IUPAC name is N-cyclopentyl-2-[furan-2-ylmethyl-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]amino]-2-(4-hydroxyphenyl)acetamide.

Molecular Properties

• Compound Name: N-cyclopentyl-2-[furan-2-ylmethyl-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]amino]-2-(4-hydroxyphenyl)acetamide
• PubChem CID: 3180209
• Molecular Formula: C28H30N6O4
• Molecular Weight: 514.59 g/mol
• Exact Mass: 514.23
• IUPAC Name: N-cyclopentyl-2-[furan-2-ylmethyl-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]amino]-2-(4-hydroxyphenyl)acetamide
• SMILES: Cc1ccc(-c2nnn(CC(=O)N(Cc3ccco3)C(C(=O)NC3CCCC3)c3ccc(O)cc3)n2)cc1
• InChI: InChI=1S/C28H30N6O4/c1-19-8-10-21(11-9-19)27-30-32-34(31-27)18-25(36)33(17-24-7-4-16-38-24)26(20-12-14-23(35)15-13-20)28(37)29-22-5-2-3-6-22/h4,7-16,22,26,35H,2-3,5-6,17-18H2,1H3,(H,29,37)
• InChIKey: XHULXWSTLASUSS-UHFFFAOYSA-N
• XLogP: 3.78
• TPSA: 126.38 Ų
• H-Bond Donors: 2
• 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	3.78
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-[furan-2-ylmethyl-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]amino]-2-(4-hydroxyphenyl)acetamide?

The IUPAC name of N-cyclopentyl-2-[furan-2-ylmethyl-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]amino]-2-(4-hydroxyphenyl)acetamide (CID 3180209) is N-cyclopentyl-2-[furan-2-ylmethyl-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]amino]-2-(4-hydroxyphenyl)acetamide.

What is the SMILES notation for N-cyclopentyl-2-[furan-2-ylmethyl-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]amino]-2-(4-hydroxyphenyl)acetamide?

The canonical SMILES for N-cyclopentyl-2-[furan-2-ylmethyl-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]amino]-2-(4-hydroxyphenyl)acetamide is Cc1ccc(-c2nnn(CC(=O)N(Cc3ccco3)C(C(=O)NC3CCCC3)c3ccc(O)cc3)n2)cc1.

What is the InChIKey of N-cyclopentyl-2-[furan-2-ylmethyl-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]amino]-2-(4-hydroxyphenyl)acetamide?

The InChIKey is XHULXWSTLASUSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N6O4/c1-19-8-10-21(11-9-19)27-30-32-34(31-27)18-25(36)33(17-24-7-4-16-38-24)26(20-12-14-23(35)15-13-20)28(37)29-22-5-2-3-6-22/h4,7-16,22,26,35H,2-3,5-6,17-18H2,1H3,(H,29,37).

What are the key properties of N-cyclopentyl-2-[furan-2-ylmethyl-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]amino]-2-(4-hydroxyphenyl)acetamide?

N-cyclopentyl-2-[furan-2-ylmethyl-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]amino]-2-(4-hydroxyphenyl)acetamide has a molecular weight of 514.59 g/mol, XLogP of 3.78, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclopentyl-2-[furan-2-ylmethyl-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]amino]-2-(4-hydroxyphenyl)acetamide is sourced from PubChem (CID 3180209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).