N-(2,5-dimethylphenyl)-N'-(4-hydroxy-3-methylbutan-2-yl)oxamide

C15H22N2O3 — CID 111798967

IUPACN-(2,5-dimethylphenyl)-N'-(4-hydroxy-3-methylbutan-2-yl)oxamide
SMILESCc1ccc(C)c(NC(=O)C(=O)NC(C)C(C)CO)c1
InChIInChI=1S/C15H22N2O3/c1-9-5-6-10(2)13(7-9)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)
InChIKeyDCFBDYHXYJMLAS-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.38
Rot. Bonds4

About N-(2,5-dimethylphenyl)-N'-(4-hydroxy-3-methylbutan-2-yl)oxamide

N-(2,5-dimethylphenyl)-N'-(4-hydroxy-3-methylbutan-2-yl)oxamide (PubChem CID 111798967) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-N'-(4-hydroxy-3-methylbutan-2-yl)oxamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-N'-(4-hydroxy-3-methylbutan-2-yl)oxamide
PubChem CID111798967
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC NameN-(2,5-dimethylphenyl)-N'-(4-hydroxy-3-methylbutan-2-yl)oxamide
SMILESCc1ccc(C)c(NC(=O)C(=O)NC(C)C(C)CO)c1
InChIInChI=1S/C15H22N2O3/c1-9-5-6-10(2)13(7-9)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)
InChIKeyDCFBDYHXYJMLAS-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-(3,4-dimethylphenyl)-N'-(4-hydroxy-3-methylbutan-2-yl)oxamide
CID 111798924
N'-(2,5-dimethylphenyl)-N-(4-methylphenyl)oxamide
CID 44995959
N-(2-bromo-4-methylphenyl)-N'-(1-hydroxypropan-2-yl)oxamide
CID 47228982
N'-(2,5-dimethylphenyl)-N-(2-hydroxy-3-methylpentyl)oxamide
CID 111121500
N'-(2,5-dimethylphenyl)-N-(2-hydroxyphenyl)oxamide
CID 108514348
N-(2-hydroxy-5-methylphenyl)-N'-propan-2-yloxamide
CID 108503273
5-(2,5-dimethylanilino)-3-methyl-5-oxopentanoic acid
CID 62965721
N-(5-chloro-2-methylphenyl)-N'-(1-hydroxybutan-2-yl)oxamide
CID 45000896
2-chloro-N-(2,5-dimethylphenyl)propanamide
CID 25218955
N'-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-N-(2,5-dimethylphenyl)oxamide
CID 108531025
3-amino-N-(2,5-dimethylphenyl)butanamide
CID 60835673
1-(2-ethoxy-4-methylphenyl)-3-(4-hydroxy-3-methylbutan-2-yl)urea
CID 111453119

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-N'-(4-hydroxy-3-methylbutan-2-yl)oxamide?
The IUPAC name of N-(2,5-dimethylphenyl)-N'-(4-hydroxy-3-methylbutan-2-yl)oxamide (CID 111798967) is N-(2,5-dimethylphenyl)-N'-(4-hydroxy-3-methylbutan-2-yl)oxamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)-N'-(4-hydroxy-3-methylbutan-2-yl)oxamide?
The canonical SMILES for N-(2,5-dimethylphenyl)-N'-(4-hydroxy-3-methylbutan-2-yl)oxamide is Cc1ccc(C)c(NC(=O)C(=O)NC(C)C(C)CO)c1.
What is the InChIKey of N-(2,5-dimethylphenyl)-N'-(4-hydroxy-3-methylbutan-2-yl)oxamide?
The InChIKey is DCFBDYHXYJMLAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-9-5-6-10(2)13(7-9)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-(2,5-dimethylphenyl)-N'-(4-hydroxy-3-methylbutan-2-yl)oxamide?
N-(2,5-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-(2,5-dimethylphenyl)-N'-(4-hydroxy-3-methylbutan-2-yl)oxamide is sourced from PubChem (CID 111798967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).