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

C27H28N6O4 — CID 25447546

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

(2R)-N-cyclopentyl-2-(4-hydroxyphenyl)-2-(N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)acetamide (PubChem CID 25447546) has the molecular formula C27H28N6O4 and a molecular weight of 500.56 g/mol. Its IUPAC name is (2R)-N-cyclopentyl-2-(4-hydroxyphenyl)-2-(N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)acetamide.

Molecular Properties

• Compound Name: (2R)-N-cyclopentyl-2-(4-hydroxyphenyl)-2-(N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)acetamide
• PubChem CID: 25447546
• Molecular Formula: C27H28N6O4
• Molecular Weight: 500.56 g/mol
• Exact Mass: 500.22
• IUPAC Name: (2R)-N-cyclopentyl-2-(4-hydroxyphenyl)-2-(N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)acetamide
• SMILES: Cc1ccc(-c2nnn(CC(=O)N(c3ccccc3)[C@@H](C(=O)NC3CCCC3)c3ccc(O)cc3)n2)o1
• InChI: InChI=1S/C27H28N6O4/c1-18-11-16-23(37-18)26-29-31-32(30-26)17-24(35)33(21-9-3-2-4-10-21)25(19-12-14-22(34)15-13-19)27(36)28-20-7-5-6-8-20/h2-4,9-16,20,25,34H,5-8,17H2,1H3,(H,28,36)/t25-/m1/s1
• InChIKey: XYNWLDPOOZKOGI-RUZDIDTESA-N
• XLogP: 3.78
• TPSA: 126.38 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	500.56
LogP ≤ 5	3.78
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of (2R)-N-cyclopentyl-2-(4-hydroxyphenyl)-2-(N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)acetamide?

The IUPAC name of (2R)-N-cyclopentyl-2-(4-hydroxyphenyl)-2-(N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)acetamide (CID 25447546) is (2R)-N-cyclopentyl-2-(4-hydroxyphenyl)-2-(N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)acetamide.

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

The canonical SMILES for (2R)-N-cyclopentyl-2-(4-hydroxyphenyl)-2-(N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)acetamide is Cc1ccc(-c2nnn(CC(=O)N(c3ccccc3)[C@@H](C(=O)NC3CCCC3)c3ccc(O)cc3)n2)o1.

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

The InChIKey is XYNWLDPOOZKOGI-RUZDIDTESA-N. The full InChI is InChI=1S/C27H28N6O4/c1-18-11-16-23(37-18)26-29-31-32(30-26)17-24(35)33(21-9-3-2-4-10-21)25(19-12-14-22(34)15-13-19)27(36)28-20-7-5-6-8-20/h2-4,9-16,20,25,34H,5-8,17H2,1H3,(H,28,36)/t25-/m1/s1.

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

(2R)-N-cyclopentyl-2-(4-hydroxyphenyl)-2-(N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)acetamide has a molecular weight of 500.56 g/mol, XLogP of 3.78, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-N-cyclopentyl-2-(4-hydroxyphenyl)-2-(N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)acetamide is sourced from PubChem (CID 25447546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).