2-[benzyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-N-cyclopentylpentanamide

C25H32N6O3 — CID 3179993

IUPAC2-[benzyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-N-cyclopentylpentanamide
SMILESCCCC(C(=O)NC1CCCC1)N(Cc1ccccc1)C(=O)Cn1nnc(-c2ccc(C)o2)n1
InChIInChI=1S/C25H32N6O3/c1-3-9-21(25(33)26-20-12-7-8-13-20)30(16-19-10-5-4-6-11-19)23(32)17-31-28-24(27-29-31)22-15-14-18(2)34-22/h4-6,10-11,14-15,20-21H,3,7-9,12-13,16-17H2,1-2H3,(H,26,33)
InChIKeyZJZZPYCPDXMKEU-UHFFFAOYSA-N
MW464.57 g/mol
LogP3.50
Rot. Bonds10

About 2-[benzyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-N-cyclopentylpentanamide

2-[benzyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-N-cyclopentylpentanamide (PubChem CID 3179993) has the molecular formula C25H32N6O3 and a molecular weight of 464.57 g/mol. Its IUPAC name is 2-[benzyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-N-cyclopentylpentanamide.

Molecular Properties

Compound Name2-[benzyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-N-cyclopentylpentanamide
PubChem CID3179993
Molecular FormulaC25H32N6O3
Molecular Weight464.57 g/mol
Exact Mass464.25
IUPAC Name2-[benzyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-N-cyclopentylpentanamide
SMILESCCCC(C(=O)NC1CCCC1)N(Cc1ccccc1)C(=O)Cn1nnc(-c2ccc(C)o2)n1
InChIInChI=1S/C25H32N6O3/c1-3-9-21(25(33)26-20-12-7-8-13-20)30(16-19-10-5-4-6-11-19)23(32)17-31-28-24(27-29-31)22-15-14-18(2)34-22/h4-6,10-11,14-15,20-21H,3,7-9,12-13,16-17H2,1-2H3,(H,26,33)
InChIKeyZJZZPYCPDXMKEU-UHFFFAOYSA-N
XLogP3.50
TPSA106.15 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.57
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[benzyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-N-cyclopentylpentanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-N-cyclopentylpentanamide?
The IUPAC name of 2-[benzyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-N-cyclopentylpentanamide (CID 3179993) is 2-[benzyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-N-cyclopentylpentanamide.
What is the SMILES notation for 2-[benzyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-N-cyclopentylpentanamide?
The canonical SMILES for 2-[benzyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-N-cyclopentylpentanamide is CCCC(C(=O)NC1CCCC1)N(Cc1ccccc1)C(=O)Cn1nnc(-c2ccc(C)o2)n1.
What is the InChIKey of 2-[benzyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-N-cyclopentylpentanamide?
The InChIKey is ZJZZPYCPDXMKEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N6O3/c1-3-9-21(25(33)26-20-12-7-8-13-20)30(16-19-10-5-4-6-11-19)23(32)17-31-28-24(27-29-31)22-15-14-18(2)34-22/h4-6,10-11,14-15,20-21H,3,7-9,12-13,16-17H2,1-2H3,(H,26,33).
What are the key properties of 2-[benzyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-N-cyclopentylpentanamide?
2-[benzyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-N-cyclopentylpentanamide has a molecular weight of 464.57 g/mol, XLogP of 3.50, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-N-cyclopentylpentanamide is sourced from PubChem (CID 3179993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).