N-(3-hydroxypropyl)-N'-(4-methylphenyl)oxamide

C12H16N2O3 — CID 2247723

IUPACN-(3-hydroxypropyl)-N'-(4-methylphenyl)oxamide
SMILESCc1ccc(NC(=O)C(=O)NCCCO)cc1
InChIInChI=1S/C12H16N2O3/c1-9-3-5-10(6-4-9)14-12(17)11(16)13-7-2-8-15/h3-6,15H,2,7-8H2,1H3,(H,13,16)(H,14,17)
InChIKeyKNUSTRPKELOSGJ-UHFFFAOYSA-N
MW236.27 g/mol
LogP0.43
Rot. Bonds4

About N-(3-hydroxypropyl)-N'-(4-methylphenyl)oxamide

N-(3-hydroxypropyl)-N'-(4-methylphenyl)oxamide (PubChem CID 2247723) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is N-(3-hydroxypropyl)-N'-(4-methylphenyl)oxamide.

Molecular Properties

Compound NameN-(3-hydroxypropyl)-N'-(4-methylphenyl)oxamide
PubChem CID2247723
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC NameN-(3-hydroxypropyl)-N'-(4-methylphenyl)oxamide
SMILESCc1ccc(NC(=O)C(=O)NCCCO)cc1
InChIInChI=1S/C12H16N2O3/c1-9-3-5-10(6-4-9)14-12(17)11(16)13-7-2-8-15/h3-6,15H,2,7-8H2,1H3,(H,13,16)(H,14,17)
InChIKeyKNUSTRPKELOSGJ-UHFFFAOYSA-N
XLogP0.43
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 50.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(6-hydroxyhexyl)-N'-(4-methylphenyl)oxamide
CID 103917957
N-(2-aminoethyl)-N'-(4-methylphenyl)oxamide
CID 43315800
N'-(4-fluoro-3-methylphenyl)-N-(3-hydroxypropyl)oxamide
CID 110933503
N-(3-hydroxypropyl)-N'-[4-methyl-3-(trifluoromethyl)phenyl]oxamide
CID 110893263
N-(6-hydroxyhexyl)-N'-phenyloxamide
CID 50850958
N'-(3,4-dimethoxyphenyl)-N-(3-hydroxypropyl)oxamide
CID 5210710
2-[2-[3-(dimethylamino)propylcarbamothioyl]hydrazinyl]-N-(4-methylphenyl)-2-oxoacetamide
CID 9214234
N-(5-hydroxypentyl)-N'-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]oxamide
CID 108525845
N'-(4-bromo-3-methylphenyl)-N-(5-hydroxypentyl)oxamide
CID 108525873
N-(3-hydroxypropyl)-N'-(3-methoxyphenyl)oxamide
CID 2247264
N'-(3-bromophenyl)-N-(3-hydroxypropyl)oxamide
CID 568365
N-butyl-N'-phenyloxamide
CID 2290889

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxypropyl)-N'-(4-methylphenyl)oxamide?
The IUPAC name of N-(3-hydroxypropyl)-N'-(4-methylphenyl)oxamide (CID 2247723) is N-(3-hydroxypropyl)-N'-(4-methylphenyl)oxamide.
What is the SMILES notation for N-(3-hydroxypropyl)-N'-(4-methylphenyl)oxamide?
The canonical SMILES for N-(3-hydroxypropyl)-N'-(4-methylphenyl)oxamide is Cc1ccc(NC(=O)C(=O)NCCCO)cc1.
What is the InChIKey of N-(3-hydroxypropyl)-N'-(4-methylphenyl)oxamide?
The InChIKey is KNUSTRPKELOSGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c1-9-3-5-10(6-4-9)14-12(17)11(16)13-7-2-8-15/h3-6,15H,2,7-8H2,1H3,(H,13,16)(H,14,17).
What are the key properties of N-(3-hydroxypropyl)-N'-(4-methylphenyl)oxamide?
N-(3-hydroxypropyl)-N'-(4-methylphenyl)oxamide has a molecular weight of 236.27 g/mol, XLogP of 0.43, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxypropyl)-N'-(4-methylphenyl)oxamide is sourced from PubChem (CID 2247723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).