N-cyclopentyl-2-[(2-fluorophenyl)methyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]butanamide

C24H29FN6O3 — CID 23733058

About N-cyclopentyl-2-[(2-fluorophenyl)methyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]butanamide

N-cyclopentyl-2-[(2-fluorophenyl)methyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]butanamide (PubChem CID 23733058) has the molecular formula C24H29FN6O3 and a molecular weight of 468.53 g/mol. Its IUPAC name is N-cyclopentyl-2-[(2-fluorophenyl)methyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]butanamide.

Molecular Properties

• Compound Name: N-cyclopentyl-2-[(2-fluorophenyl)methyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]butanamide
• PubChem CID: 23733058
• Molecular Formula: C24H29FN6O3
• Molecular Weight: 468.53 g/mol
• Exact Mass: 468.23
• IUPAC Name: N-cyclopentyl-2-[(2-fluorophenyl)methyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]butanamide
• SMILES: CCC(C(=O)NC1CCCC1)N(Cc1ccccc1F)C(=O)Cn1nnc(-c2ccc(C)o2)n1
• InChI: InChI=1S/C24H29FN6O3/c1-3-20(24(33)26-18-9-5-6-10-18)30(14-17-8-4-7-11-19(17)25)22(32)15-31-28-23(27-29-31)21-13-12-16(2)34-21/h4,7-8,11-13,18,20H,3,5-6,9-10,14-15H2,1-2H3,(H,26,33)
• InChIKey: XZSFEUTZFHNYJI-UHFFFAOYSA-N
• XLogP: 3.25
• TPSA: 106.15 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	468.53
LogP ≤ 5	3.25
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-[(2-fluorophenyl)methyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]butanamide?

The IUPAC name of N-cyclopentyl-2-[(2-fluorophenyl)methyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]butanamide (CID 23733058) is N-cyclopentyl-2-[(2-fluorophenyl)methyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]butanamide.

What is the SMILES notation for N-cyclopentyl-2-[(2-fluorophenyl)methyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]butanamide?

The canonical SMILES for N-cyclopentyl-2-[(2-fluorophenyl)methyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]butanamide is CCC(C(=O)NC1CCCC1)N(Cc1ccccc1F)C(=O)Cn1nnc(-c2ccc(C)o2)n1.

What is the InChIKey of N-cyclopentyl-2-[(2-fluorophenyl)methyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]butanamide?

The InChIKey is XZSFEUTZFHNYJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29FN6O3/c1-3-20(24(33)26-18-9-5-6-10-18)30(14-17-8-4-7-11-19(17)25)22(32)15-31-28-23(27-29-31)21-13-12-16(2)34-21/h4,7-8,11-13,18,20H,3,5-6,9-10,14-15H2,1-2H3,(H,26,33).

What are the key properties of N-cyclopentyl-2-[(2-fluorophenyl)methyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]butanamide?

N-cyclopentyl-2-[(2-fluorophenyl)methyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]butanamide has a molecular weight of 468.53 g/mol, XLogP of 3.25, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclopentyl-2-[(2-fluorophenyl)methyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]butanamide is sourced from PubChem (CID 23733058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).