N-cyclopentyl-2-(4-methoxyphenyl)-2-(N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)acetamide

C28H30N6O4 — CID 3180252

About N-cyclopentyl-2-(4-methoxyphenyl)-2-(N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)acetamide

N-cyclopentyl-2-(4-methoxyphenyl)-2-(N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)acetamide (PubChem CID 3180252) has the molecular formula C28H30N6O4 and a molecular weight of 514.59 g/mol. Its IUPAC name is N-cyclopentyl-2-(4-methoxyphenyl)-2-(N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)acetamide.

Molecular Properties

• Compound Name: N-cyclopentyl-2-(4-methoxyphenyl)-2-(N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)acetamide
• PubChem CID: 3180252
• Molecular Formula: C28H30N6O4
• Molecular Weight: 514.59 g/mol
• Exact Mass: 514.23
• IUPAC Name: N-cyclopentyl-2-(4-methoxyphenyl)-2-(N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)acetamide
• SMILES: COc1ccc(C(C(=O)NC2CCCC2)N(C(=O)Cn2nnc(-c3ccc(C)o3)n2)c2ccccc2)cc1
• InChI: InChI=1S/C28H30N6O4/c1-19-12-17-24(38-19)27-30-32-33(31-27)18-25(35)34(22-10-4-3-5-11-22)26(20-13-15-23(37-2)16-14-20)28(36)29-21-8-6-7-9-21/h3-5,10-17,21,26H,6-9,18H2,1-2H3,(H,29,36)
• InChIKey: UBXHUPWDXUEDRI-UHFFFAOYSA-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 N-cyclopentyl-2-(4-methoxyphenyl)-2-(N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)acetamide?

The IUPAC name of N-cyclopentyl-2-(4-methoxyphenyl)-2-(N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)acetamide (CID 3180252) is N-cyclopentyl-2-(4-methoxyphenyl)-2-(N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)acetamide.

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

The canonical SMILES for N-cyclopentyl-2-(4-methoxyphenyl)-2-(N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)acetamide is COc1ccc(C(C(=O)NC2CCCC2)N(C(=O)Cn2nnc(-c3ccc(C)o3)n2)c2ccccc2)cc1.

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

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

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

N-cyclopentyl-2-(4-methoxyphenyl)-2-(N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)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 N-cyclopentyl-2-(4-methoxyphenyl)-2-(N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)acetamide is sourced from PubChem (CID 3180252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).