N'-(1-cyclopropyl-3-hydroxypropyl)-N-(3,5-dimethylphenyl)oxamide

C16H22N2O3 — CID 111798788

IUPACN'-(1-cyclopropyl-3-hydroxypropyl)-N-(3,5-dimethylphenyl)oxamide
SMILESCc1cc(C)cc(NC(=O)C(=O)NC(CCO)C2CC2)c1
InChIInChI=1S/C16H22N2O3/c1-10-7-11(2)9-13(8-10)17-15(20)16(21)18-14(5-6-19)12-3-4-12/h7-9,12,14,19H,3-6H2,1-2H3,(H,17,20)(H,18,21)
InChIKeyLVCVTVKNOQHCAE-UHFFFAOYSA-N
MW290.36 g/mol
LogP1.52
Rot. Bonds5

About N'-(1-cyclopropyl-3-hydroxypropyl)-N-(3,5-dimethylphenyl)oxamide

N'-(1-cyclopropyl-3-hydroxypropyl)-N-(3,5-dimethylphenyl)oxamide (PubChem CID 111798788) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is N'-(1-cyclopropyl-3-hydroxypropyl)-N-(3,5-dimethylphenyl)oxamide.

Molecular Properties

Compound NameN'-(1-cyclopropyl-3-hydroxypropyl)-N-(3,5-dimethylphenyl)oxamide
PubChem CID111798788
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC NameN'-(1-cyclopropyl-3-hydroxypropyl)-N-(3,5-dimethylphenyl)oxamide
SMILESCc1cc(C)cc(NC(=O)C(=O)NC(CCO)C2CC2)c1
InChIInChI=1S/C16H22N2O3/c1-10-7-11(2)9-13(8-10)17-15(20)16(21)18-14(5-6-19)12-3-4-12/h7-9,12,14,19H,3-6H2,1-2H3,(H,17,20)(H,18,21)
InChIKeyLVCVTVKNOQHCAE-UHFFFAOYSA-N
XLogP1.52
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.52
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-cyclopropyl-3-hydroxypropyl)-N-(3-ethylphenyl)oxamide
CID 111798819
N-(3-chlorophenyl)-N'-(1-cyclopropyl-3-hydroxypropyl)oxamide
CID 111798802
N-[(4R,5S)-4,5-dihydroxycycloheptyl]-N'-(3,5-dimethylphenyl)oxamide
CID 154784991
N-(3,5-dimethylphenyl)-N',N'-bis(2-hydroxyethyl)oxamide
CID 108509946
N'-(3,5-dimethylphenyl)-N-phenyloxamide
CID 44996455
N'-(3,5-dimethylphenyl)-N-(2-ethylhexyl)oxamide
CID 4272614
1-(1-cyclohexyl-3-hydroxypropyl)-3-phenylurea
CID 111383992
N-(3,5-dimethylphenyl)-N'-[1-(4-ethylphenyl)ethyl]oxamide
CID 108511070
N-(1-cyclopropyl-3-hydroxypropyl)-4-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 110016347
N-[(1-cyclopentylpiperidin-4-yl)methyl]-N'-(3,5-dimethylphenyl)oxamide
CID 16886755
N-(3,5-dichlorophenyl)-N'-(1-hydroxy-4-methylpentan-3-yl)oxamide
CID 111798695
N'-[(1R)-1-cyclopropyl-2-phenylethyl]-N-(4-methoxyphenyl)oxamide
CID 95773405

Frequently Asked Questions

What is the IUPAC name of N'-(1-cyclopropyl-3-hydroxypropyl)-N-(3,5-dimethylphenyl)oxamide?
The IUPAC name of N'-(1-cyclopropyl-3-hydroxypropyl)-N-(3,5-dimethylphenyl)oxamide (CID 111798788) is N'-(1-cyclopropyl-3-hydroxypropyl)-N-(3,5-dimethylphenyl)oxamide.
What is the SMILES notation for N'-(1-cyclopropyl-3-hydroxypropyl)-N-(3,5-dimethylphenyl)oxamide?
The canonical SMILES for N'-(1-cyclopropyl-3-hydroxypropyl)-N-(3,5-dimethylphenyl)oxamide is Cc1cc(C)cc(NC(=O)C(=O)NC(CCO)C2CC2)c1.
What is the InChIKey of N'-(1-cyclopropyl-3-hydroxypropyl)-N-(3,5-dimethylphenyl)oxamide?
The InChIKey is LVCVTVKNOQHCAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-10-7-11(2)9-13(8-10)17-15(20)16(21)18-14(5-6-19)12-3-4-12/h7-9,12,14,19H,3-6H2,1-2H3,(H,17,20)(H,18,21).
What are the key properties of N'-(1-cyclopropyl-3-hydroxypropyl)-N-(3,5-dimethylphenyl)oxamide?
N'-(1-cyclopropyl-3-hydroxypropyl)-N-(3,5-dimethylphenyl)oxamide has a molecular weight of 290.36 g/mol, XLogP of 1.52, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1-cyclopropyl-3-hydroxypropyl)-N-(3,5-dimethylphenyl)oxamide is sourced from PubChem (CID 111798788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).