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

C18H28N2O2 — CID 108523149

IUPACN-(3,4-dimethylphenyl)-N',N'-bis(2-methylpropyl)oxamide
SMILESCc1ccc(NC(=O)C(=O)N(CC(C)C)CC(C)C)cc1C
InChIInChI=1S/C18H28N2O2/c1-12(2)10-20(11-13(3)4)18(22)17(21)19-16-8-7-14(5)15(6)9-16/h7-9,12-13H,10-11H2,1-6H3,(H,19,21)
InChIKeyKTQNTKIBDPXKGQ-UHFFFAOYSA-N
MW304.43 g/mol
LogP3.38
Rot. Bonds5

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

N-(3,4-dimethylphenyl)-N',N'-bis(2-methylpropyl)oxamide (PubChem CID 108523149) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-N',N'-bis(2-methylpropyl)oxamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-N',N'-bis(2-methylpropyl)oxamide
PubChem CID108523149
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC NameN-(3,4-dimethylphenyl)-N',N'-bis(2-methylpropyl)oxamide
SMILESCc1ccc(NC(=O)C(=O)N(CC(C)C)CC(C)C)cc1C
InChIInChI=1S/C18H28N2O2/c1-12(2)10-20(11-13(3)4)18(22)17(21)19-16-8-7-14(5)15(6)9-16/h7-9,12-13H,10-11H2,1-6H3,(H,19,21)
InChIKeyKTQNTKIBDPXKGQ-UHFFFAOYSA-N
XLogP3.38
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(3,4-dimethylphenyl)-N',N'-bis(2-methylpropyl)oxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-chloro-4-methoxyphenyl)-N',N'-bis(2-methylpropyl)oxamide
CID 108501268
N,N'-bis(3,4-dimethylphenyl)oxamide
CID 3278038
N'-(3,4-dimethylphenyl)-N-(2-methylpropyl)oxamide
CID 3832963
N-(4-iodo-2-methylphenyl)-N',N'-bis(2-methylpropyl)oxamide
CID 108516418
N'-butan-2-yl-N-(3,4-dimethylphenyl)oxamide
CID 3102423
5-[[ethyl(2-methylpropyl)carbamoyl]amino]-2-methylbenzoic acid
CID 63653720
2-[acetyl(3-methylbutyl)amino]-N-(3,4-dimethylphenyl)acetamide
CID 113166550
N-(3,4-dimethylphenyl)-N'-(4-hydroxy-3-methylbutan-2-yl)oxamide
CID 111798924
N-(5-methyl-1,2-oxazol-3-yl)-N',N'-bis(2-methylpropyl)oxamide
CID 47263951
N-(3,4-dimethylphenyl)-2-[2-(2-methylbutanoyl)hydrazinyl]-2-oxoacetamide
CID 102561459
N-(3,4-dimethylphenyl)-3-(3-methylbutylamino)propanamide
CID 109032012
methyl 2-(3,4-dimethylanilino)-2-oxoacetate
CID 11557524

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-N',N'-bis(2-methylpropyl)oxamide?
The IUPAC name of N-(3,4-dimethylphenyl)-N',N'-bis(2-methylpropyl)oxamide (CID 108523149) is N-(3,4-dimethylphenyl)-N',N'-bis(2-methylpropyl)oxamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-N',N'-bis(2-methylpropyl)oxamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-N',N'-bis(2-methylpropyl)oxamide is Cc1ccc(NC(=O)C(=O)N(CC(C)C)CC(C)C)cc1C.
What is the InChIKey of N-(3,4-dimethylphenyl)-N',N'-bis(2-methylpropyl)oxamide?
The InChIKey is KTQNTKIBDPXKGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-12(2)10-20(11-13(3)4)18(22)17(21)19-16-8-7-14(5)15(6)9-16/h7-9,12-13H,10-11H2,1-6H3,(H,19,21).
What are the key properties of N-(3,4-dimethylphenyl)-N',N'-bis(2-methylpropyl)oxamide?
N-(3,4-dimethylphenyl)-N',N'-bis(2-methylpropyl)oxamide has a molecular weight of 304.43 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-N',N'-bis(2-methylpropyl)oxamide is sourced from PubChem (CID 108523149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).