N-cyclopentyl-2-[3-ethoxypropyl-[2-[5-(4-methoxyphenyl)tetrazol-2-yl]acetyl]amino]-2-(furan-2-yl)acetamide

C26H34N6O5 — CID 3174741

About N-cyclopentyl-2-[3-ethoxypropyl-[2-[5-(4-methoxyphenyl)tetrazol-2-yl]acetyl]amino]-2-(furan-2-yl)acetamide

N-cyclopentyl-2-[3-ethoxypropyl-[2-[5-(4-methoxyphenyl)tetrazol-2-yl]acetyl]amino]-2-(furan-2-yl)acetamide (PubChem CID 3174741) has the molecular formula C26H34N6O5 and a molecular weight of 510.60 g/mol. Its IUPAC name is N-cyclopentyl-2-[3-ethoxypropyl-[2-[5-(4-methoxyphenyl)tetrazol-2-yl]acetyl]amino]-2-(furan-2-yl)acetamide.

Molecular Properties

• Compound Name: N-cyclopentyl-2-[3-ethoxypropyl-[2-[5-(4-methoxyphenyl)tetrazol-2-yl]acetyl]amino]-2-(furan-2-yl)acetamide
• PubChem CID: 3174741
• Molecular Formula: C26H34N6O5
• Molecular Weight: 510.60 g/mol
• Exact Mass: 510.26
• IUPAC Name: N-cyclopentyl-2-[3-ethoxypropyl-[2-[5-(4-methoxyphenyl)tetrazol-2-yl]acetyl]amino]-2-(furan-2-yl)acetamide
• SMILES: CCOCCCN(C(=O)Cn1nnc(-c2ccc(OC)cc2)n1)C(C(=O)NC1CCCC1)c1ccco1
• InChI: InChI=1S/C26H34N6O5/c1-3-36-16-7-15-31(24(22-10-6-17-37-22)26(34)27-20-8-4-5-9-20)23(33)18-32-29-25(28-30-32)19-11-13-21(35-2)14-12-19/h6,10-14,17,20,24H,3-5,7-9,15-16,18H2,1-2H3,(H,27,34)
• InChIKey: YCPGORYHOVBFGM-UHFFFAOYSA-N
• XLogP: 3.00
• TPSA: 124.61 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 13
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	510.60
LogP ≤ 5	3.00
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-[3-ethoxypropyl-[2-[5-(4-methoxyphenyl)tetrazol-2-yl]acetyl]amino]-2-(furan-2-yl)acetamide?

The IUPAC name of N-cyclopentyl-2-[3-ethoxypropyl-[2-[5-(4-methoxyphenyl)tetrazol-2-yl]acetyl]amino]-2-(furan-2-yl)acetamide (CID 3174741) is N-cyclopentyl-2-[3-ethoxypropyl-[2-[5-(4-methoxyphenyl)tetrazol-2-yl]acetyl]amino]-2-(furan-2-yl)acetamide.

What is the SMILES notation for N-cyclopentyl-2-[3-ethoxypropyl-[2-[5-(4-methoxyphenyl)tetrazol-2-yl]acetyl]amino]-2-(furan-2-yl)acetamide?

The canonical SMILES for N-cyclopentyl-2-[3-ethoxypropyl-[2-[5-(4-methoxyphenyl)tetrazol-2-yl]acetyl]amino]-2-(furan-2-yl)acetamide is CCOCCCN(C(=O)Cn1nnc(-c2ccc(OC)cc2)n1)C(C(=O)NC1CCCC1)c1ccco1.

What is the InChIKey of N-cyclopentyl-2-[3-ethoxypropyl-[2-[5-(4-methoxyphenyl)tetrazol-2-yl]acetyl]amino]-2-(furan-2-yl)acetamide?

The InChIKey is YCPGORYHOVBFGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N6O5/c1-3-36-16-7-15-31(24(22-10-6-17-37-22)26(34)27-20-8-4-5-9-20)23(33)18-32-29-25(28-30-32)19-11-13-21(35-2)14-12-19/h6,10-14,17,20,24H,3-5,7-9,15-16,18H2,1-2H3,(H,27,34).

What are the key properties of N-cyclopentyl-2-[3-ethoxypropyl-[2-[5-(4-methoxyphenyl)tetrazol-2-yl]acetyl]amino]-2-(furan-2-yl)acetamide?

N-cyclopentyl-2-[3-ethoxypropyl-[2-[5-(4-methoxyphenyl)tetrazol-2-yl]acetyl]amino]-2-(furan-2-yl)acetamide has a molecular weight of 510.60 g/mol, XLogP of 3.00, 13 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclopentyl-2-[3-ethoxypropyl-[2-[5-(4-methoxyphenyl)tetrazol-2-yl]acetyl]amino]-2-(furan-2-yl)acetamide is sourced from PubChem (CID 3174741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).