N'-(3,5-dimethylphenyl)-N-(2-ethylhexyl)oxamide

C18H28N2O2 — CID 4272614

IUPACN'-(3,5-dimethylphenyl)-N-(2-ethylhexyl)oxamide
SMILESCCCCC(CC)CNC(=O)C(=O)Nc1cc(C)cc(C)c1
InChIInChI=1S/C18H28N2O2/c1-5-7-8-15(6-2)12-19-17(21)18(22)20-16-10-13(3)9-14(4)11-16/h9-11,15H,5-8,12H2,1-4H3,(H,19,21)(H,20,22)
InChIKeyIPVLSAPFZDARIV-UHFFFAOYSA-N
MW304.43 g/mol
LogP3.57
Rot. Bonds7

About N'-(3,5-dimethylphenyl)-N-(2-ethylhexyl)oxamide

N'-(3,5-dimethylphenyl)-N-(2-ethylhexyl)oxamide (PubChem CID 4272614) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is N'-(3,5-dimethylphenyl)-N-(2-ethylhexyl)oxamide.

Molecular Properties

Compound NameN'-(3,5-dimethylphenyl)-N-(2-ethylhexyl)oxamide
PubChem CID4272614
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC NameN'-(3,5-dimethylphenyl)-N-(2-ethylhexyl)oxamide
SMILESCCCCC(CC)CNC(=O)C(=O)Nc1cc(C)cc(C)c1
InChIInChI=1S/C18H28N2O2/c1-5-7-8-15(6-2)12-19-17(21)18(22)20-16-10-13(3)9-14(4)11-16/h9-11,15H,5-8,12H2,1-4H3,(H,19,21)(H,20,22)
InChIKeyIPVLSAPFZDARIV-UHFFFAOYSA-N
XLogP3.57
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
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

1-(3,5-dimethylphenyl)-3-(2-ethylhexyl)thiourea
CID 19651746
N-(2-ethylhexyl)-N'-phenyloxamide
CID 3102544
N'-(3-chloro-4-methylphenyl)-N-[(2S)-2-ethylhexyl]oxamide
CID 2291750
N-[(2S)-2-ethylhexyl]-N'-(3-fluorophenyl)oxamide
CID 2291432
N-(2-ethylhexyl)-N'-(5-methyl-1,2-oxazol-3-yl)oxamide
CID 47205589
ethyl 2-[4-[[4-[(2-ethoxy-2-oxoacetyl)amino]phenyl]methyl]anilino]-2-oxoacetate;N-(2-ethylhexyl)-N'-[4-[[4-[[2-(2-ethylhexylamino)-2-oxoacetyl]amino]phenyl]methyl]phenyl]oxamide
CID 161032414
N-(2-ethylhexyl)-N'-(2-ethylphenyl)oxamide
CID 4656011
N-(2-ethylhexyl)-N'-(1,3-thiazol-5-yl)oxamide
CID 17201967
N-(2-ethylhexyl)-N'-(1,3-thiazol-2-yl)oxamide
CID 3116902
2-bromo-N-(2-ethylhexyl)-5-methylbenzamide
CID 81109580
2-bromo-N-(2-ethylhexyl)butanamide
CID 62854370
1-[(2R)-2-ethylhexyl]-3-[3-[[(2R)-2-ethylhexyl]carbamoylamino]-4-methylphenyl]urea
CID 101499424

Frequently Asked Questions

What is the IUPAC name of N'-(3,5-dimethylphenyl)-N-(2-ethylhexyl)oxamide?
The IUPAC name of N'-(3,5-dimethylphenyl)-N-(2-ethylhexyl)oxamide (CID 4272614) is N'-(3,5-dimethylphenyl)-N-(2-ethylhexyl)oxamide.
What is the SMILES notation for N'-(3,5-dimethylphenyl)-N-(2-ethylhexyl)oxamide?
The canonical SMILES for N'-(3,5-dimethylphenyl)-N-(2-ethylhexyl)oxamide is CCCCC(CC)CNC(=O)C(=O)Nc1cc(C)cc(C)c1.
What is the InChIKey of N'-(3,5-dimethylphenyl)-N-(2-ethylhexyl)oxamide?
The InChIKey is IPVLSAPFZDARIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-5-7-8-15(6-2)12-19-17(21)18(22)20-16-10-13(3)9-14(4)11-16/h9-11,15H,5-8,12H2,1-4H3,(H,19,21)(H,20,22).
What are the key properties of N'-(3,5-dimethylphenyl)-N-(2-ethylhexyl)oxamide?
N'-(3,5-dimethylphenyl)-N-(2-ethylhexyl)oxamide has a molecular weight of 304.43 g/mol, XLogP of 3.57, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3,5-dimethylphenyl)-N-(2-ethylhexyl)oxamide is sourced from PubChem (CID 4272614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).