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

C18H28N2O2 — CID 108523109

IUPACN-(3,4-dimethylphenyl)-N'-(2,4,4-trimethylpentan-2-yl)oxamide
SMILESCc1ccc(NC(=O)C(=O)NC(C)(C)CC(C)(C)C)cc1C
InChIInChI=1S/C18H28N2O2/c1-12-8-9-14(10-13(12)2)19-15(21)16(22)20-18(6,7)11-17(3,4)5/h8-10H,11H2,1-7H3,(H,19,21)(H,20,22)
InChIKeyVOEIITDPXHSRII-UHFFFAOYSA-N
MW304.43 g/mol
LogP3.57
Rot. Bonds3

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

N-(3,4-dimethylphenyl)-N'-(2,4,4-trimethylpentan-2-yl)oxamide (PubChem CID 108523109) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-N'-(2,4,4-trimethylpentan-2-yl)oxamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-N'-(2,4,4-trimethylpentan-2-yl)oxamide
PubChem CID108523109
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC NameN-(3,4-dimethylphenyl)-N'-(2,4,4-trimethylpentan-2-yl)oxamide
SMILESCc1ccc(NC(=O)C(=O)NC(C)(C)CC(C)(C)C)cc1C
InChIInChI=1S/C18H28N2O2/c1-12-8-9-14(10-13(12)2)19-15(21)16(22)20-18(6,7)11-17(3,4)5/h8-10H,11H2,1-7H3,(H,19,21)(H,20,22)
InChIKeyVOEIITDPXHSRII-UHFFFAOYSA-N
XLogP3.57
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 53.57
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
ethyl 4-[[2-oxo-2-(2,4,4-trimethylpentan-2-ylamino)acetyl]amino]benzoate
CID 108500106
N-(4-chloro-3-nitrophenyl)-N'-(2,4,4-trimethylpentan-2-yl)oxamide
CID 108512763
N,N'-bis(3,4-dimethylphenyl)-2,2-dimethylpropanediamide
CID 108967928
N'-[3,5-bis(trifluoromethyl)phenyl]-N-(3,4-dimethylphenyl)oxamide
CID 108523144
N'-(3,4-dimethylphenyl)-N-(2-methylpropyl)oxamide
CID 3832963
methyl 2-(3,4-dimethylanilino)-2-oxoacetate
CID 11557524
N'-butan-2-yl-N-(3,4-dimethylphenyl)oxamide
CID 3102423
N'-(3,4-dimethylphenyl)-N-(4-hydroxy-2,2-dimethylpentyl)oxamide
CID 111490702
N'-(3,4-dimethylphenyl)-N-[(2S)-2-hydroxy-2-thiophen-2-ylpropyl]oxamide
CID 95983351
N'-(1-hydroxy-2-methylpropan-2-yl)-N-(3-methylphenyl)oxamide
CID 44996302
N'-(3,4-dimethylphenyl)-N,N-diethyl-2,2-dimethylpropanediamide
CID 108965699

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-N'-(2,4,4-trimethylpentan-2-yl)oxamide?
The IUPAC name of N-(3,4-dimethylphenyl)-N'-(2,4,4-trimethylpentan-2-yl)oxamide (CID 108523109) is N-(3,4-dimethylphenyl)-N'-(2,4,4-trimethylpentan-2-yl)oxamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-N'-(2,4,4-trimethylpentan-2-yl)oxamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-N'-(2,4,4-trimethylpentan-2-yl)oxamide is Cc1ccc(NC(=O)C(=O)NC(C)(C)CC(C)(C)C)cc1C.
What is the InChIKey of N-(3,4-dimethylphenyl)-N'-(2,4,4-trimethylpentan-2-yl)oxamide?
The InChIKey is VOEIITDPXHSRII-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-12-8-9-14(10-13(12)2)19-15(21)16(22)20-18(6,7)11-17(3,4)5/h8-10H,11H2,1-7H3,(H,19,21)(H,20,22).
What are the key properties of N-(3,4-dimethylphenyl)-N'-(2,4,4-trimethylpentan-2-yl)oxamide?
N-(3,4-dimethylphenyl)-N'-(2,4,4-trimethylpentan-2-yl)oxamide has a molecular weight of 304.43 g/mol, XLogP of 3.57, 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'-(2,4,4-trimethylpentan-2-yl)oxamide is sourced from PubChem (CID 108523109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).