N'-butan-2-yl-N-(4-hydroxy-2-methylphenyl)oxamide

C13H18N2O3 — CID 108505393

IUPACN'-butan-2-yl-N-(4-hydroxy-2-methylphenyl)oxamide
SMILESCCC(C)NC(=O)C(=O)Nc1ccc(O)cc1C
InChIInChI=1S/C13H18N2O3/c1-4-9(3)14-12(17)13(18)15-11-6-5-10(16)7-8(11)2/h5-7,9,16H,4H2,1-3H3,(H,14,17)(H,15,18)
InChIKeyFNOSAVPSQPUADY-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.55
Rot. Bonds3

About N'-butan-2-yl-N-(4-hydroxy-2-methylphenyl)oxamide

N'-butan-2-yl-N-(4-hydroxy-2-methylphenyl)oxamide (PubChem CID 108505393) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is N'-butan-2-yl-N-(4-hydroxy-2-methylphenyl)oxamide.

Molecular Properties

Compound NameN'-butan-2-yl-N-(4-hydroxy-2-methylphenyl)oxamide
PubChem CID108505393
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC NameN'-butan-2-yl-N-(4-hydroxy-2-methylphenyl)oxamide
SMILESCCC(C)NC(=O)C(=O)Nc1ccc(O)cc1C
InChIInChI=1S/C13H18N2O3/c1-4-9(3)14-12(17)13(18)15-11-6-5-10(16)7-8(11)2/h5-7,9,16H,4H2,1-3H3,(H,14,17)(H,15,18)
InChIKeyFNOSAVPSQPUADY-UHFFFAOYSA-N
XLogP1.55
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-(2-butan-2-ylphenyl)-N-(4-hydroxy-2-methylphenyl)oxamide
CID 108509668
N'-(4-hydroxy-2-methylphenyl)-N-(3-methylbutyl)oxamide
CID 108509660
N'-butan-2-yl-N-(2,4-dichlorophenyl)oxamide
CID 108502714
N-(4-hydroxy-2-methylphenyl)-N'-(2,4,6-trimethylphenyl)oxamide
CID 108509461
N'-butan-2-yl-N-(3,4-dimethylphenyl)oxamide
CID 3102423
N-(4-hydroxy-2-methylphenyl)-N',N'-dipropyloxamide
CID 108509587
N-(4-hydroxy-2-methylphenyl)-N'-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]oxamide
CID 108509455
N-(4-bromo-3-methylphenyl)-N'-butan-2-yloxamide
CID 2926820
N-(3-chloropropyl)-N'-(4-hydroxy-2-methylphenyl)oxamide
CID 108509469
N'-[(2S)-butan-2-yl]-N-(4-ethylphenyl)oxamide
CID 41312150
N'-butan-2-yl-N-(4-chloro-2-methylphenyl)propanediamide
CID 108941850
N-(4-fluoro-2-methylphenyl)-N'-propan-2-yloxamide
CID 47147961

Frequently Asked Questions

What is the IUPAC name of N'-butan-2-yl-N-(4-hydroxy-2-methylphenyl)oxamide?
The IUPAC name of N'-butan-2-yl-N-(4-hydroxy-2-methylphenyl)oxamide (CID 108505393) is N'-butan-2-yl-N-(4-hydroxy-2-methylphenyl)oxamide.
What is the SMILES notation for N'-butan-2-yl-N-(4-hydroxy-2-methylphenyl)oxamide?
The canonical SMILES for N'-butan-2-yl-N-(4-hydroxy-2-methylphenyl)oxamide is CCC(C)NC(=O)C(=O)Nc1ccc(O)cc1C.
What is the InChIKey of N'-butan-2-yl-N-(4-hydroxy-2-methylphenyl)oxamide?
The InChIKey is FNOSAVPSQPUADY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-4-9(3)14-12(17)13(18)15-11-6-5-10(16)7-8(11)2/h5-7,9,16H,4H2,1-3H3,(H,14,17)(H,15,18).
What are the key properties of N'-butan-2-yl-N-(4-hydroxy-2-methylphenyl)oxamide?
N'-butan-2-yl-N-(4-hydroxy-2-methylphenyl)oxamide has a molecular weight of 250.30 g/mol, XLogP of 1.55, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-butan-2-yl-N-(4-hydroxy-2-methylphenyl)oxamide is sourced from PubChem (CID 108505393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).