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

C14H20N2O2 — CID 3102423

IUPACN'-butan-2-yl-N-(3,4-dimethylphenyl)oxamide
SMILESCCC(C)NC(=O)C(=O)Nc1ccc(C)c(C)c1
InChIInChI=1S/C14H20N2O2/c1-5-11(4)15-13(17)14(18)16-12-7-6-9(2)10(3)8-12/h6-8,11H,5H2,1-4H3,(H,15,17)(H,16,18)
InChIKeyJJJNJXHDTMQBEK-UHFFFAOYSA-N
MW248.33 g/mol
LogP2.16
Rot. Bonds3

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

N'-butan-2-yl-N-(3,4-dimethylphenyl)oxamide (PubChem CID 3102423) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is N'-butan-2-yl-N-(3,4-dimethylphenyl)oxamide.

Molecular Properties

Compound NameN'-butan-2-yl-N-(3,4-dimethylphenyl)oxamide
PubChem CID3102423
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC NameN'-butan-2-yl-N-(3,4-dimethylphenyl)oxamide
SMILESCCC(C)NC(=O)C(=O)Nc1ccc(C)c(C)c1
InChIInChI=1S/C14H20N2O2/c1-5-11(4)15-13(17)14(18)16-12-7-6-9(2)10(3)8-12/h6-8,11H,5H2,1-4H3,(H,15,17)(H,16,18)
InChIKeyJJJNJXHDTMQBEK-UHFFFAOYSA-N
XLogP2.16
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(4-bromo-3-methylphenyl)-N'-butan-2-yloxamide
CID 2926820
N'-butan-2-yl-N-(3,4-dimethylphenyl)propanediamide
CID 108941829
N,N'-bis(3,4-dimethylphenyl)oxamide
CID 3278038
N-(3,4-dimethylphenyl)-N'-(4-hydroxy-3-methylbutan-2-yl)oxamide
CID 111798924
N-(3,4-dimethylphenyl)-2-[2-(2-methylbutanoyl)hydrazinyl]-2-oxoacetamide
CID 102561459
N'-[(2S)-butan-2-yl]-N-(4-ethylphenyl)oxamide
CID 41312150
N'-(3,4-dimethylphenyl)-N-(2-methylpropyl)oxamide
CID 3832963
N'-butan-2-yl-N-(4-carbamoylphenyl)oxamide
CID 45001357
N-(3,4-dimethylphenyl)-N'-[(1R)-1-(4-ethoxyphenyl)ethyl]oxamide
CID 94536642
N'-butan-2-yl-N-[4-(trifluoromethyl)phenyl]oxamide
CID 44998922
N'-[[4-[[(2R)-butan-2-yl]amino]-4-oxobutan-2-ylidene]amino]-N-(3-chloro-4-methylphenyl)oxamide
CID 129441113
N'-butan-2-yl-N-(3-methoxyphenyl)oxamide
CID 44999404

Frequently Asked Questions

What is the IUPAC name of N'-butan-2-yl-N-(3,4-dimethylphenyl)oxamide?
The IUPAC name of N'-butan-2-yl-N-(3,4-dimethylphenyl)oxamide (CID 3102423) is N'-butan-2-yl-N-(3,4-dimethylphenyl)oxamide.
What is the SMILES notation for N'-butan-2-yl-N-(3,4-dimethylphenyl)oxamide?
The canonical SMILES for N'-butan-2-yl-N-(3,4-dimethylphenyl)oxamide is CCC(C)NC(=O)C(=O)Nc1ccc(C)c(C)c1.
What is the InChIKey of N'-butan-2-yl-N-(3,4-dimethylphenyl)oxamide?
The InChIKey is JJJNJXHDTMQBEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-5-11(4)15-13(17)14(18)16-12-7-6-9(2)10(3)8-12/h6-8,11H,5H2,1-4H3,(H,15,17)(H,16,18).
What are the key properties of N'-butan-2-yl-N-(3,4-dimethylphenyl)oxamide?
N'-butan-2-yl-N-(3,4-dimethylphenyl)oxamide has a molecular weight of 248.33 g/mol, XLogP of 2.16, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-butan-2-yl-N-(3,4-dimethylphenyl)oxamide is sourced from PubChem (CID 3102423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).