N'-[1-(hydroxymethyl)cyclopentyl]-N-phenyloxamide

C14H18N2O3 — CID 110008759

IUPACN'-[1-(hydroxymethyl)cyclopentyl]-N-phenyloxamide
SMILESO=C(Nc1ccccc1)C(=O)NC1(CO)CCCC1
InChIInChI=1S/C14H18N2O3/c17-10-14(8-4-5-9-14)16-13(19)12(18)15-11-6-2-1-3-7-11/h1-3,6-7,17H,4-5,8-10H2,(H,15,18)(H,16,19)
InChIKeyHDGRWEGGZHFJFS-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.05
Rot. Bonds3

About N'-[1-(hydroxymethyl)cyclopentyl]-N-phenyloxamide

N'-[1-(hydroxymethyl)cyclopentyl]-N-phenyloxamide (PubChem CID 110008759) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is N'-[1-(hydroxymethyl)cyclopentyl]-N-phenyloxamide.

Molecular Properties

Compound NameN'-[1-(hydroxymethyl)cyclopentyl]-N-phenyloxamide
PubChem CID110008759
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC NameN'-[1-(hydroxymethyl)cyclopentyl]-N-phenyloxamide
SMILESO=C(Nc1ccccc1)C(=O)NC1(CO)CCCC1
InChIInChI=1S/C14H18N2O3/c17-10-14(8-4-5-9-14)16-13(19)12(18)15-11-6-2-1-3-7-11/h1-3,6-7,17H,4-5,8-10H2,(H,15,18)(H,16,19)
InChIKeyHDGRWEGGZHFJFS-UHFFFAOYSA-N
XLogP1.05
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-[1-(hydroxymethyl)cyclopentyl]-N-phenyloxamide?
The IUPAC name of N'-[1-(hydroxymethyl)cyclopentyl]-N-phenyloxamide (CID 110008759) is N'-[1-(hydroxymethyl)cyclopentyl]-N-phenyloxamide.
What is the SMILES notation for N'-[1-(hydroxymethyl)cyclopentyl]-N-phenyloxamide?
The canonical SMILES for N'-[1-(hydroxymethyl)cyclopentyl]-N-phenyloxamide is O=C(Nc1ccccc1)C(=O)NC1(CO)CCCC1.
What is the InChIKey of N'-[1-(hydroxymethyl)cyclopentyl]-N-phenyloxamide?
The InChIKey is HDGRWEGGZHFJFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c17-10-14(8-4-5-9-14)16-13(19)12(18)15-11-6-2-1-3-7-11/h1-3,6-7,17H,4-5,8-10H2,(H,15,18)(H,16,19).
What are the key properties of N'-[1-(hydroxymethyl)cyclopentyl]-N-phenyloxamide?
N'-[1-(hydroxymethyl)cyclopentyl]-N-phenyloxamide has a molecular weight of 262.31 g/mol, XLogP of 1.05, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-(hydroxymethyl)cyclopentyl]-N-phenyloxamide is sourced from PubChem (CID 110008759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).