2-[4-[(2-oxocyclopentyl)methyl]phenyl]-N-(1H-1,2,4-triazol-5-yl)propanamide

C17H20N4O2 — CID 71703771

IUPAC2-[4-[(2-oxocyclopentyl)methyl]phenyl]-N-(1H-1,2,4-triazol-5-yl)propanamide
SMILESCC(C(=O)Nc1ncn[nH]1)c1ccc(CC2CCCC2=O)cc1
InChIInChI=1S/C17H20N4O2/c1-11(16(23)20-17-18-10-19-21-17)13-7-5-12(6-8-13)9-14-3-2-4-15(14)22/h5-8,10-11,14H,2-4,9H2,1H3,(H2,18,19,20,21,23)
InChIKeyYGLCOMCGODRKJI-UHFFFAOYSA-N
MW312.37 g/mol
LogP2.46
Rot. Bonds5

About 2-[4-[(2-oxocyclopentyl)methyl]phenyl]-N-(1H-1,2,4-triazol-5-yl)propanamide

2-[4-[(2-oxocyclopentyl)methyl]phenyl]-N-(1H-1,2,4-triazol-5-yl)propanamide (PubChem CID 71703771) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is 2-[4-[(2-oxocyclopentyl)methyl]phenyl]-N-(1H-1,2,4-triazol-5-yl)propanamide.

Molecular Properties

Compound Name2-[4-[(2-oxocyclopentyl)methyl]phenyl]-N-(1H-1,2,4-triazol-5-yl)propanamide
PubChem CID71703771
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC Name2-[4-[(2-oxocyclopentyl)methyl]phenyl]-N-(1H-1,2,4-triazol-5-yl)propanamide
SMILESCC(C(=O)Nc1ncn[nH]1)c1ccc(CC2CCCC2=O)cc1
InChIInChI=1S/C17H20N4O2/c1-11(16(23)20-17-18-10-19-21-17)13-7-5-12(6-8-13)9-14-3-2-4-15(14)22/h5-8,10-11,14H,2-4,9H2,1H3,(H2,18,19,20,21,23)
InChIKeyYGLCOMCGODRKJI-UHFFFAOYSA-N
XLogP2.46
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[4-[(2-oxocyclopentyl)methyl]phenyl]-N-(1H-1,2,4-triazol-5-yl)propanamide 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-[4-[(2-oxocyclopentyl)methyl]phenyl]-N-(1H-1,2,4-triazol-5-yl)propanamide?
The IUPAC name of 2-[4-[(2-oxocyclopentyl)methyl]phenyl]-N-(1H-1,2,4-triazol-5-yl)propanamide (CID 71703771) is 2-[4-[(2-oxocyclopentyl)methyl]phenyl]-N-(1H-1,2,4-triazol-5-yl)propanamide.
What is the SMILES notation for 2-[4-[(2-oxocyclopentyl)methyl]phenyl]-N-(1H-1,2,4-triazol-5-yl)propanamide?
The canonical SMILES for 2-[4-[(2-oxocyclopentyl)methyl]phenyl]-N-(1H-1,2,4-triazol-5-yl)propanamide is CC(C(=O)Nc1ncn[nH]1)c1ccc(CC2CCCC2=O)cc1.
What is the InChIKey of 2-[4-[(2-oxocyclopentyl)methyl]phenyl]-N-(1H-1,2,4-triazol-5-yl)propanamide?
The InChIKey is YGLCOMCGODRKJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2/c1-11(16(23)20-17-18-10-19-21-17)13-7-5-12(6-8-13)9-14-3-2-4-15(14)22/h5-8,10-11,14H,2-4,9H2,1H3,(H2,18,19,20,21,23).
What are the key properties of 2-[4-[(2-oxocyclopentyl)methyl]phenyl]-N-(1H-1,2,4-triazol-5-yl)propanamide?
2-[4-[(2-oxocyclopentyl)methyl]phenyl]-N-(1H-1,2,4-triazol-5-yl)propanamide has a molecular weight of 312.37 g/mol, XLogP of 2.46, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-oxocyclopentyl)methyl]phenyl]-N-(1H-1,2,4-triazol-5-yl)propanamide is sourced from PubChem (CID 71703771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).