N-(2-ethylhexyl)-N'-(2-ethylphenyl)oxamide

C18H28N2O2 — CID 4656011

IUPACN-(2-ethylhexyl)-N'-(2-ethylphenyl)oxamide
SMILESCCCCC(CC)CNC(=O)C(=O)Nc1ccccc1CC
InChIInChI=1S/C18H28N2O2/c1-4-7-10-14(5-2)13-19-17(21)18(22)20-16-12-9-8-11-15(16)6-3/h8-9,11-12,14H,4-7,10,13H2,1-3H3,(H,19,21)(H,20,22)
InChIKeyUKKYSAYHOSKACI-UHFFFAOYSA-N
MW304.43 g/mol
LogP3.52
Rot. Bonds8

About N-(2-ethylhexyl)-N'-(2-ethylphenyl)oxamide

N-(2-ethylhexyl)-N'-(2-ethylphenyl)oxamide (PubChem CID 4656011) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is N-(2-ethylhexyl)-N'-(2-ethylphenyl)oxamide.

Molecular Properties

Compound NameN-(2-ethylhexyl)-N'-(2-ethylphenyl)oxamide
PubChem CID4656011
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC NameN-(2-ethylhexyl)-N'-(2-ethylphenyl)oxamide
SMILESCCCCC(CC)CNC(=O)C(=O)Nc1ccccc1CC
InChIInChI=1S/C18H28N2O2/c1-4-7-10-14(5-2)13-19-17(21)18(22)20-16-12-9-8-11-15(16)6-3/h8-9,11-12,14H,4-7,10,13H2,1-3H3,(H,19,21)(H,20,22)
InChIKeyUKKYSAYHOSKACI-UHFFFAOYSA-N
XLogP3.52
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 53.52
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-(2-ethylhexyl)-N'-phenyloxamide
CID 3102544
N'-(2-ethylphenyl)-N-(2-hydroxy-3,3-dimethylbutyl)oxamide
CID 111121541
N-[(2S)-2-ethylhexyl]-N'-(3-fluorophenyl)oxamide
CID 2291432
N'-(3,5-dimethylphenyl)-N-(2-ethylhexyl)oxamide
CID 4272614
1-(2,3-dimethylphenyl)-3-(2-ethylhexyl)urea
CID 129089188
N'-(2-ethylphenyl)-N-[2-(furan-2-yl)-2-hydroxyethyl]oxamide
CID 110893787
N-(2-ethylhexyl)-2-(methylamino)benzamide
CID 61377678
N-(2-ethylhexyl)-2-(2-ethylphenoxy)propanamide
CID 133235259
1-tert-butyl-3-[3-(2-ethylhexylcarbamoylamino)-2-methylphenyl]urea
CID 58918481
N-[(2R)-2-ethylhexyl]-2-naphthalen-1-ylacetamide
CID 7314092
(2S)-2-amino-N-(2-ethylhexyl)-2-phenylacetamide
CID 104897632
N-(2-ethylhexyl)-N'-(1,3-thiazol-2-yl)oxamide
CID 3116902

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylhexyl)-N'-(2-ethylphenyl)oxamide?
The IUPAC name of N-(2-ethylhexyl)-N'-(2-ethylphenyl)oxamide (CID 4656011) is N-(2-ethylhexyl)-N'-(2-ethylphenyl)oxamide.
What is the SMILES notation for N-(2-ethylhexyl)-N'-(2-ethylphenyl)oxamide?
The canonical SMILES for N-(2-ethylhexyl)-N'-(2-ethylphenyl)oxamide is CCCCC(CC)CNC(=O)C(=O)Nc1ccccc1CC.
What is the InChIKey of N-(2-ethylhexyl)-N'-(2-ethylphenyl)oxamide?
The InChIKey is UKKYSAYHOSKACI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-4-7-10-14(5-2)13-19-17(21)18(22)20-16-12-9-8-11-15(16)6-3/h8-9,11-12,14H,4-7,10,13H2,1-3H3,(H,19,21)(H,20,22).
What are the key properties of N-(2-ethylhexyl)-N'-(2-ethylphenyl)oxamide?
N-(2-ethylhexyl)-N'-(2-ethylphenyl)oxamide has a molecular weight of 304.43 g/mol, XLogP of 3.52, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylhexyl)-N'-(2-ethylphenyl)oxamide is sourced from PubChem (CID 4656011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).