N'-(2-cyclopropyl-1-hydroxypropan-2-yl)-N-(4-methylphenyl)oxamide

C15H20N2O3 — CID 111975992

IUPACN'-(2-cyclopropyl-1-hydroxypropan-2-yl)-N-(4-methylphenyl)oxamide
SMILESCc1ccc(NC(=O)C(=O)NC(C)(CO)C2CC2)cc1
InChIInChI=1S/C15H20N2O3/c1-10-3-7-12(8-4-10)16-13(19)14(20)17-15(2,9-18)11-5-6-11/h3-4,7-8,11,18H,5-6,9H2,1-2H3,(H,16,19)(H,17,20)
InChIKeyFJYNIVHZLSPVPQ-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.21
Rot. Bonds4

About N'-(2-cyclopropyl-1-hydroxypropan-2-yl)-N-(4-methylphenyl)oxamide

N'-(2-cyclopropyl-1-hydroxypropan-2-yl)-N-(4-methylphenyl)oxamide (PubChem CID 111975992) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is N'-(2-cyclopropyl-1-hydroxypropan-2-yl)-N-(4-methylphenyl)oxamide.

Molecular Properties

Compound NameN'-(2-cyclopropyl-1-hydroxypropan-2-yl)-N-(4-methylphenyl)oxamide
PubChem CID111975992
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC NameN'-(2-cyclopropyl-1-hydroxypropan-2-yl)-N-(4-methylphenyl)oxamide
SMILESCc1ccc(NC(=O)C(=O)NC(C)(CO)C2CC2)cc1
InChIInChI=1S/C15H20N2O3/c1-10-3-7-12(8-4-10)16-13(19)14(20)17-15(2,9-18)11-5-6-11/h3-4,7-8,11,18H,5-6,9H2,1-2H3,(H,16,19)(H,17,20)
InChIKeyFJYNIVHZLSPVPQ-UHFFFAOYSA-N
XLogP1.21
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.21
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'-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-N-(4-methylphenyl)oxamide
CID 107847359
1-(2-cyclopropyl-1-hydroxypropan-2-yl)-3-(4-fluorophenyl)urea
CID 111976036
1-(2-cyclopropyl-1-hydroxypropan-2-yl)-3-[4-(trifluoromethoxy)phenyl]urea
CID 111976217
1-(2-cyclopropyl-1-hydroxypropan-2-yl)-3-(2-ethoxy-4-methylphenyl)urea
CID 111976318
1-(2-cyclopropyl-1-hydroxypropan-2-yl)-3-(2,4,6-trimethylphenyl)urea
CID 111976204
N-cycloheptyl-N'-(4-methylphenyl)oxamide
CID 2287607
N-cyclododecyl-N'-(4-methylphenyl)oxamide
CID 2924110
4-methyl-4-[[2-(4-methylanilino)-2-oxoacetyl]amino]pentanoic acid
CID 62041566
1-(2-cyclopropyl-1-hydroxypropan-2-yl)-3-(3-fluorophenyl)urea
CID 111976013
N-[(2S)-2-cyclopropyl-1-hydroxypropan-2-yl]-2-methylfuran-3-carboxamide
CID 97002318
(2R)-1-[2-(4-methylanilino)-2-oxoacetyl]pyrrolidine-2-carboxylic acid
CID 78922047
1-(2-cyclopropyl-1-hydroxypropan-2-yl)-3-(3-fluoro-2-methylphenyl)urea
CID 111976449

Frequently Asked Questions

What is the IUPAC name of N'-(2-cyclopropyl-1-hydroxypropan-2-yl)-N-(4-methylphenyl)oxamide?
The IUPAC name of N'-(2-cyclopropyl-1-hydroxypropan-2-yl)-N-(4-methylphenyl)oxamide (CID 111975992) is N'-(2-cyclopropyl-1-hydroxypropan-2-yl)-N-(4-methylphenyl)oxamide.
What is the SMILES notation for N'-(2-cyclopropyl-1-hydroxypropan-2-yl)-N-(4-methylphenyl)oxamide?
The canonical SMILES for N'-(2-cyclopropyl-1-hydroxypropan-2-yl)-N-(4-methylphenyl)oxamide is Cc1ccc(NC(=O)C(=O)NC(C)(CO)C2CC2)cc1.
What is the InChIKey of N'-(2-cyclopropyl-1-hydroxypropan-2-yl)-N-(4-methylphenyl)oxamide?
The InChIKey is FJYNIVHZLSPVPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-10-3-7-12(8-4-10)16-13(19)14(20)17-15(2,9-18)11-5-6-11/h3-4,7-8,11,18H,5-6,9H2,1-2H3,(H,16,19)(H,17,20).
What are the key properties of N'-(2-cyclopropyl-1-hydroxypropan-2-yl)-N-(4-methylphenyl)oxamide?
N'-(2-cyclopropyl-1-hydroxypropan-2-yl)-N-(4-methylphenyl)oxamide has a molecular weight of 276.34 g/mol, XLogP of 1.21, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-cyclopropyl-1-hydroxypropan-2-yl)-N-(4-methylphenyl)oxamide is sourced from PubChem (CID 111975992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).