N-(3,4-dimethylphenyl)-N'-(4-hydroxy-3-methylbutan-2-yl)oxamide

C15H22N2O3 — CID 111798924

IUPACN-(3,4-dimethylphenyl)-N'-(4-hydroxy-3-methylbutan-2-yl)oxamide
SMILESCc1ccc(NC(=O)C(=O)NC(C)C(C)CO)cc1C
InChIInChI=1S/C15H22N2O3/c1-9-5-6-13(7-10(9)2)17-15(20)14(19)16-12(4)11(3)8-18/h5-7,11-12,18H,8H2,1-4H3,(H,16,19)(H,17,20)
InChIKeyRRRZWCOSWQUCKF-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.38
Rot. Bonds4

About N-(3,4-dimethylphenyl)-N'-(4-hydroxy-3-methylbutan-2-yl)oxamide

N-(3,4-dimethylphenyl)-N'-(4-hydroxy-3-methylbutan-2-yl)oxamide (PubChem CID 111798924) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-N'-(4-hydroxy-3-methylbutan-2-yl)oxamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-N'-(4-hydroxy-3-methylbutan-2-yl)oxamide
PubChem CID111798924
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC NameN-(3,4-dimethylphenyl)-N'-(4-hydroxy-3-methylbutan-2-yl)oxamide
SMILESCc1ccc(NC(=O)C(=O)NC(C)C(C)CO)cc1C
InChIInChI=1S/C15H22N2O3/c1-9-5-6-13(7-10(9)2)17-15(20)14(19)16-12(4)11(3)8-18/h5-7,11-12,18H,8H2,1-4H3,(H,16,19)(H,17,20)
InChIKeyRRRZWCOSWQUCKF-UHFFFAOYSA-N
XLogP1.38
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.38
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'-butan-2-yl-N-(3,4-dimethylphenyl)oxamide
CID 3102423
N,N'-bis(3,4-dimethylphenyl)oxamide
CID 3278038
N-(2,5-dimethylphenyl)-N'-(4-hydroxy-3-methylbutan-2-yl)oxamide
CID 111798967
N-(4-chloro-3-fluorophenyl)-N'-(4-hydroxy-3-methylbutan-2-yl)oxamide
CID 111798976
1-(3,4-dimethylphenyl)-3-(1-hydroxypropan-2-yl)urea
CID 110890307
N'-(3,4-dimethylphenyl)-N-(2-methylpropyl)oxamide
CID 3832963
methyl 2-(3,4-dimethylanilino)-2-oxoacetate
CID 11557524
N-(3,4-dimethylphenyl)-2-[2-(2-methylbutanoyl)hydrazinyl]-2-oxoacetamide
CID 102561459
1-(4-hydroxy-3-methylbutan-2-yl)-3-(4-methyl-3-nitrophenyl)urea
CID 111452549
1-(3,4-dimethylphenyl)-3-(1-hydroxybutan-2-yl)urea
CID 108894071
N-(3,4-dimethylphenyl)-N'-[(1R)-1-(4-ethoxyphenyl)ethyl]oxamide
CID 94536642
(2R)-2-[(3,4-dimethylphenyl)carbamoylamino]propanoic acid
CID 54991355

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-N'-(4-hydroxy-3-methylbutan-2-yl)oxamide?
The IUPAC name of N-(3,4-dimethylphenyl)-N'-(4-hydroxy-3-methylbutan-2-yl)oxamide (CID 111798924) is N-(3,4-dimethylphenyl)-N'-(4-hydroxy-3-methylbutan-2-yl)oxamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-N'-(4-hydroxy-3-methylbutan-2-yl)oxamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-N'-(4-hydroxy-3-methylbutan-2-yl)oxamide is Cc1ccc(NC(=O)C(=O)NC(C)C(C)CO)cc1C.
What is the InChIKey of N-(3,4-dimethylphenyl)-N'-(4-hydroxy-3-methylbutan-2-yl)oxamide?
The InChIKey is RRRZWCOSWQUCKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-9-5-6-13(7-10(9)2)17-15(20)14(19)16-12(4)11(3)8-18/h5-7,11-12,18H,8H2,1-4H3,(H,16,19)(H,17,20).
What are the key properties of N-(3,4-dimethylphenyl)-N'-(4-hydroxy-3-methylbutan-2-yl)oxamide?
N-(3,4-dimethylphenyl)-N'-(4-hydroxy-3-methylbutan-2-yl)oxamide has a molecular weight of 278.35 g/mol, XLogP of 1.38, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-N'-(4-hydroxy-3-methylbutan-2-yl)oxamide is sourced from PubChem (CID 111798924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).