N'-[1-(hydroxymethyl)cyclopropyl]-N-(4-methylphenyl)oxamide

C13H16N2O3 — CID 113344704

IUPACN'-[1-(hydroxymethyl)cyclopropyl]-N-(4-methylphenyl)oxamide
SMILESCc1ccc(NC(=O)C(=O)NC2(CO)CC2)cc1
InChIInChI=1S/C13H16N2O3/c1-9-2-4-10(5-3-9)14-11(17)12(18)15-13(8-16)6-7-13/h2-5,16H,6-8H2,1H3,(H,14,17)(H,15,18)
InChIKeyJWLPMLMOWBKPKC-UHFFFAOYSA-N
MW248.28 g/mol
LogP0.57
Rot. Bonds3

About N'-[1-(hydroxymethyl)cyclopropyl]-N-(4-methylphenyl)oxamide

N'-[1-(hydroxymethyl)cyclopropyl]-N-(4-methylphenyl)oxamide (PubChem CID 113344704) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is N'-[1-(hydroxymethyl)cyclopropyl]-N-(4-methylphenyl)oxamide.

Molecular Properties

Compound NameN'-[1-(hydroxymethyl)cyclopropyl]-N-(4-methylphenyl)oxamide
PubChem CID113344704
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC NameN'-[1-(hydroxymethyl)cyclopropyl]-N-(4-methylphenyl)oxamide
SMILESCc1ccc(NC(=O)C(=O)NC2(CO)CC2)cc1
InChIInChI=1S/C13H16N2O3/c1-9-2-4-10(5-3-9)14-11(17)12(18)15-13(8-16)6-7-13/h2-5,16H,6-8H2,1H3,(H,14,17)(H,15,18)
InChIKeyJWLPMLMOWBKPKC-UHFFFAOYSA-N
XLogP0.57
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 50.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-[1-(hydroxymethyl)cyclopentyl]-N-phenyloxamide
CID 110008759
3-[[2-(4-methylanilino)-2-oxoacetyl]amino]oxolane-3-carboxylic acid
CID 64888452
N'-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-N-(4-methylphenyl)oxamide
CID 107847359
N-[1-(hydroxymethyl)cyclopropyl]-2-oxopropanamide
CID 139551842
N-(3-hydroxypropyl)-N'-(4-methylphenyl)oxamide
CID 2247723
[1-(4-methylanilino)cycloheptyl]methanol
CID 61044779
[8-(4-methylanilino)spiro[4.5]decan-8-yl]methanol
CID 114819821
4-methyl-N-(4-methylphenyl)piperidine-4-carboxamide
CID 63121506
2-methyl-3-[4-[[4-(4-methylphenyl)oxane-4-carbonyl]amino]phenyl]propanoic acid
CID 120541500
N-cyano-N'-(4-methylphenyl)oxamide
CID 79195305
1-[1-(aminomethyl)cyclohexyl]-3-(4-methylphenyl)urea
CID 63765978
2-(4-acetamidophenyl)-N-[1-(hydroxymethyl)cyclobutyl]acetamide
CID 115878692

Frequently Asked Questions

What is the IUPAC name of N'-[1-(hydroxymethyl)cyclopropyl]-N-(4-methylphenyl)oxamide?
The IUPAC name of N'-[1-(hydroxymethyl)cyclopropyl]-N-(4-methylphenyl)oxamide (CID 113344704) is N'-[1-(hydroxymethyl)cyclopropyl]-N-(4-methylphenyl)oxamide.
What is the SMILES notation for N'-[1-(hydroxymethyl)cyclopropyl]-N-(4-methylphenyl)oxamide?
The canonical SMILES for N'-[1-(hydroxymethyl)cyclopropyl]-N-(4-methylphenyl)oxamide is Cc1ccc(NC(=O)C(=O)NC2(CO)CC2)cc1.
What is the InChIKey of N'-[1-(hydroxymethyl)cyclopropyl]-N-(4-methylphenyl)oxamide?
The InChIKey is JWLPMLMOWBKPKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3/c1-9-2-4-10(5-3-9)14-11(17)12(18)15-13(8-16)6-7-13/h2-5,16H,6-8H2,1H3,(H,14,17)(H,15,18).
What are the key properties of N'-[1-(hydroxymethyl)cyclopropyl]-N-(4-methylphenyl)oxamide?
N'-[1-(hydroxymethyl)cyclopropyl]-N-(4-methylphenyl)oxamide has a molecular weight of 248.28 g/mol, XLogP of 0.57, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-(hydroxymethyl)cyclopropyl]-N-(4-methylphenyl)oxamide is sourced from PubChem (CID 113344704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).