N'-(3,4-dimethylphenyl)-N-(2-methylpropyl)oxamide

C14H20N2O2 — CID 3832963

IUPACN'-(3,4-dimethylphenyl)-N-(2-methylpropyl)oxamide
SMILESCc1ccc(NC(=O)C(=O)NCC(C)C)cc1C
InChIInChI=1S/C14H20N2O2/c1-9(2)8-15-13(17)14(18)16-12-6-5-10(3)11(4)7-12/h5-7,9H,8H2,1-4H3,(H,15,17)(H,16,18)
InChIKeyXPVKIBKKEUSEGP-UHFFFAOYSA-N
MW248.33 g/mol
LogP2.01
Rot. Bonds3

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

N'-(3,4-dimethylphenyl)-N-(2-methylpropyl)oxamide (PubChem CID 3832963) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is N'-(3,4-dimethylphenyl)-N-(2-methylpropyl)oxamide.

Molecular Properties

Compound NameN'-(3,4-dimethylphenyl)-N-(2-methylpropyl)oxamide
PubChem CID3832963
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC NameN'-(3,4-dimethylphenyl)-N-(2-methylpropyl)oxamide
SMILESCc1ccc(NC(=O)C(=O)NCC(C)C)cc1C
InChIInChI=1S/C14H20N2O2/c1-9(2)8-15-13(17)14(18)16-12-6-5-10(3)11(4)7-12/h5-7,9H,8H2,1-4H3,(H,15,17)(H,16,18)
InChIKeyXPVKIBKKEUSEGP-UHFFFAOYSA-N
XLogP2.01
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 ≤ 52.01
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,N'-bis(3,4-dimethylphenyl)oxamide
CID 3278038
N-(2,2-diethoxyethyl)-N'-(3,4-dimethylphenyl)oxamide
CID 7292869
N'-butan-2-yl-N-(3,4-dimethylphenyl)oxamide
CID 3102423
N'-(3-hydroxyphenyl)-N-(2-methylpropyl)oxamide
CID 45000278
N'-(3,4-dimethylphenyl)-N-(4-hydroxy-2,2-dimethylpentyl)oxamide
CID 111490702
N-(3,4-dimethylphenyl)-N',N'-bis(2-methylpropyl)oxamide
CID 108523149
N'-(3-bromophenyl)-N-(2-methylpropyl)oxamide
CID 2248971
N'-(5-chloro-2-methylphenyl)-N-(2-methylpropyl)oxamide
CID 2218014
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'-(3-chloro-4-methylphenyl)-N-(3-methylbutyl)oxamide
CID 2290781
N'-(3,4-dimethylphenyl)-N-[(2S)-2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]oxamide
CID 30605747

Frequently Asked Questions

What is the IUPAC name of N'-(3,4-dimethylphenyl)-N-(2-methylpropyl)oxamide?
The IUPAC name of N'-(3,4-dimethylphenyl)-N-(2-methylpropyl)oxamide (CID 3832963) is N'-(3,4-dimethylphenyl)-N-(2-methylpropyl)oxamide.
What is the SMILES notation for N'-(3,4-dimethylphenyl)-N-(2-methylpropyl)oxamide?
The canonical SMILES for N'-(3,4-dimethylphenyl)-N-(2-methylpropyl)oxamide is Cc1ccc(NC(=O)C(=O)NCC(C)C)cc1C.
What is the InChIKey of N'-(3,4-dimethylphenyl)-N-(2-methylpropyl)oxamide?
The InChIKey is XPVKIBKKEUSEGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-9(2)8-15-13(17)14(18)16-12-6-5-10(3)11(4)7-12/h5-7,9H,8H2,1-4H3,(H,15,17)(H,16,18).
What are the key properties of N'-(3,4-dimethylphenyl)-N-(2-methylpropyl)oxamide?
N'-(3,4-dimethylphenyl)-N-(2-methylpropyl)oxamide has a molecular weight of 248.33 g/mol, XLogP of 2.01, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3,4-dimethylphenyl)-N-(2-methylpropyl)oxamide is sourced from PubChem (CID 3832963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).