N-(2-ethyl-6-methylphenyl)-N',N'-bis(2-methylpropyl)oxamide

C19H30N2O2 — CID 108512129

IUPACN-(2-ethyl-6-methylphenyl)-N',N'-bis(2-methylpropyl)oxamide
SMILESCCc1cccc(C)c1NC(=O)C(=O)N(CC(C)C)CC(C)C
InChIInChI=1S/C19H30N2O2/c1-7-16-10-8-9-15(6)17(16)20-18(22)19(23)21(11-13(2)3)12-14(4)5/h8-10,13-14H,7,11-12H2,1-6H3,(H,20,22)
InChIKeyRUWSZIHARUQXSF-UHFFFAOYSA-N
MW318.46 g/mol
LogP3.64
Rot. Bonds6

About N-(2-ethyl-6-methylphenyl)-N',N'-bis(2-methylpropyl)oxamide

N-(2-ethyl-6-methylphenyl)-N',N'-bis(2-methylpropyl)oxamide (PubChem CID 108512129) has the molecular formula C19H30N2O2 and a molecular weight of 318.46 g/mol. Its IUPAC name is N-(2-ethyl-6-methylphenyl)-N',N'-bis(2-methylpropyl)oxamide.

Molecular Properties

Compound NameN-(2-ethyl-6-methylphenyl)-N',N'-bis(2-methylpropyl)oxamide
PubChem CID108512129
Molecular FormulaC19H30N2O2
Molecular Weight318.46 g/mol
Exact Mass318.23
IUPAC NameN-(2-ethyl-6-methylphenyl)-N',N'-bis(2-methylpropyl)oxamide
SMILESCCc1cccc(C)c1NC(=O)C(=O)N(CC(C)C)CC(C)C
InChIInChI=1S/C19H30N2O2/c1-7-16-10-8-9-15(6)17(16)20-18(22)19(23)21(11-13(2)3)12-14(4)5/h8-10,13-14H,7,11-12H2,1-6H3,(H,20,22)
InChIKeyRUWSZIHARUQXSF-UHFFFAOYSA-N
XLogP3.64
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-ethyl-6-methylphenyl)-N',N'-dipropyloxamide
CID 108512105
N,N'-bis(2-ethyl-6-methylphenyl)oxamide
CID 3725747
2-[acetyl(2-methylpropyl)amino]-N-(2,6-diethylphenyl)acetamide
CID 13294808
N-(2-ethyl-6-methylphenyl)-N'-(4-hydroxyphenyl)-N'-methyloxamide
CID 108512103
(2R)-2-amino-N-(2-ethyl-6-methylphenyl)-3-methylbutanamide
CID 79011736
N'-(2-ethyl-6-methylphenyl)-N-(2-methylpropyl)propanediamide
CID 108941644
2-[(2,6-dimethylphenyl)carbamoyl-(2-methylpropyl)amino]acetic acid
CID 63066316
(E)-N,N'-bis(2-ethyl-6-methylphenyl)but-2-enediamide
CID 17407260
N-(3-bromo-4-methylphenyl)-N'-(2-ethyl-6-methylphenyl)oxamide
CID 108986918
N-(2-ethyl-6-methylphenyl)-2,2-dimethyl-N'-(3-methylbutyl)propanediamide
CID 108966271
N',N'-dibenzyl-N-(2,6-dimethylphenyl)oxamide
CID 108523708
1,1-dibenzyl-3-(2-ethyl-6-methylphenyl)urea
CID 3835143

Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-6-methylphenyl)-N',N'-bis(2-methylpropyl)oxamide?
The IUPAC name of N-(2-ethyl-6-methylphenyl)-N',N'-bis(2-methylpropyl)oxamide (CID 108512129) is N-(2-ethyl-6-methylphenyl)-N',N'-bis(2-methylpropyl)oxamide.
What is the SMILES notation for N-(2-ethyl-6-methylphenyl)-N',N'-bis(2-methylpropyl)oxamide?
The canonical SMILES for N-(2-ethyl-6-methylphenyl)-N',N'-bis(2-methylpropyl)oxamide is CCc1cccc(C)c1NC(=O)C(=O)N(CC(C)C)CC(C)C.
What is the InChIKey of N-(2-ethyl-6-methylphenyl)-N',N'-bis(2-methylpropyl)oxamide?
The InChIKey is RUWSZIHARUQXSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O2/c1-7-16-10-8-9-15(6)17(16)20-18(22)19(23)21(11-13(2)3)12-14(4)5/h8-10,13-14H,7,11-12H2,1-6H3,(H,20,22).
What are the key properties of N-(2-ethyl-6-methylphenyl)-N',N'-bis(2-methylpropyl)oxamide?
N-(2-ethyl-6-methylphenyl)-N',N'-bis(2-methylpropyl)oxamide has a molecular weight of 318.46 g/mol, XLogP of 3.64, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-6-methylphenyl)-N',N'-bis(2-methylpropyl)oxamide is sourced from PubChem (CID 108512129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).