1-hydroxy-N-(4-prop-2-ynoxyphenyl)cyclopentane-1-carboxamide

C15H17NO3 — CID 111109306

IUPAC1-hydroxy-N-(4-prop-2-ynoxyphenyl)cyclopentane-1-carboxamide
SMILESC#CCOc1ccc(NC(=O)C2(O)CCCC2)cc1
InChIInChI=1S/C15H17NO3/c1-2-11-19-13-7-5-12(6-8-13)16-14(17)15(18)9-3-4-10-15/h1,5-8,18H,3-4,9-11H2,(H,16,17)
InChIKeyDVGQKSQVZMGWJQ-UHFFFAOYSA-N
MW259.30 g/mol
LogP1.94
Rot. Bonds4

About 1-hydroxy-N-(4-prop-2-ynoxyphenyl)cyclopentane-1-carboxamide

1-hydroxy-N-(4-prop-2-ynoxyphenyl)cyclopentane-1-carboxamide (PubChem CID 111109306) has the molecular formula C15H17NO3 and a molecular weight of 259.30 g/mol. Its IUPAC name is 1-hydroxy-N-(4-prop-2-ynoxyphenyl)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-hydroxy-N-(4-prop-2-ynoxyphenyl)cyclopentane-1-carboxamide
PubChem CID111109306
Molecular FormulaC15H17NO3
Molecular Weight259.30 g/mol
Exact Mass259.12
IUPAC Name1-hydroxy-N-(4-prop-2-ynoxyphenyl)cyclopentane-1-carboxamide
SMILESC#CCOc1ccc(NC(=O)C2(O)CCCC2)cc1
InChIInChI=1S/C15H17NO3/c1-2-11-19-13-7-5-12(6-8-13)16-14(17)15(18)9-3-4-10-15/h1,5-8,18H,3-4,9-11H2,(H,16,17)
InChIKeyDVGQKSQVZMGWJQ-UHFFFAOYSA-N
XLogP1.94
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.30
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-hydroxy-N-(4-prop-2-ynoxyphenyl)cyclopentane-1-carboxamide 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 1-hydroxy-N-(4-prop-2-ynoxyphenyl)cyclopentane-1-carboxamide?
The IUPAC name of 1-hydroxy-N-(4-prop-2-ynoxyphenyl)cyclopentane-1-carboxamide (CID 111109306) is 1-hydroxy-N-(4-prop-2-ynoxyphenyl)cyclopentane-1-carboxamide.
What is the SMILES notation for 1-hydroxy-N-(4-prop-2-ynoxyphenyl)cyclopentane-1-carboxamide?
The canonical SMILES for 1-hydroxy-N-(4-prop-2-ynoxyphenyl)cyclopentane-1-carboxamide is C#CCOc1ccc(NC(=O)C2(O)CCCC2)cc1.
What is the InChIKey of 1-hydroxy-N-(4-prop-2-ynoxyphenyl)cyclopentane-1-carboxamide?
The InChIKey is DVGQKSQVZMGWJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3/c1-2-11-19-13-7-5-12(6-8-13)16-14(17)15(18)9-3-4-10-15/h1,5-8,18H,3-4,9-11H2,(H,16,17).
What are the key properties of 1-hydroxy-N-(4-prop-2-ynoxyphenyl)cyclopentane-1-carboxamide?
1-hydroxy-N-(4-prop-2-ynoxyphenyl)cyclopentane-1-carboxamide has a molecular weight of 259.30 g/mol, XLogP of 1.94, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-N-(4-prop-2-ynoxyphenyl)cyclopentane-1-carboxamide is sourced from PubChem (CID 111109306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).