N'-ethyl-N-(3-methylbutyl)-N'-(3-methylphenyl)oxamide

C16H24N2O2 — CID 108532502

IUPACN'-ethyl-N-(3-methylbutyl)-N'-(3-methylphenyl)oxamide
SMILESCCN(C(=O)C(=O)NCCC(C)C)c1cccc(C)c1
InChIInChI=1S/C16H24N2O2/c1-5-18(14-8-6-7-13(4)11-14)16(20)15(19)17-10-9-12(2)3/h6-8,11-12H,5,9-10H2,1-4H3,(H,17,19)
InChIKeyREZUHZCHAPJFTL-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.51
Rot. Bonds5

About N'-ethyl-N-(3-methylbutyl)-N'-(3-methylphenyl)oxamide

N'-ethyl-N-(3-methylbutyl)-N'-(3-methylphenyl)oxamide (PubChem CID 108532502) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is N'-ethyl-N-(3-methylbutyl)-N'-(3-methylphenyl)oxamide.

Molecular Properties

Compound NameN'-ethyl-N-(3-methylbutyl)-N'-(3-methylphenyl)oxamide
PubChem CID108532502
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC NameN'-ethyl-N-(3-methylbutyl)-N'-(3-methylphenyl)oxamide
SMILESCCN(C(=O)C(=O)NCCC(C)C)c1cccc(C)c1
InChIInChI=1S/C16H24N2O2/c1-5-18(14-8-6-7-13(4)11-14)16(20)15(19)17-10-9-12(2)3/h6-8,11-12H,5,9-10H2,1-4H3,(H,17,19)
InChIKeyREZUHZCHAPJFTL-UHFFFAOYSA-N
XLogP2.51
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.51
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

1-N'-ethyl-1-N-(3-methylbutyl)-1-N'-(3-methylphenyl)cyclopropane-1,1-dicarboxamide
CID 108979740
1-N-ethyl-2-N-(3-methylbutyl)-1-N-(3-methylphenyl)cyclopropane-1,2-dicarboxamide
CID 109139998
N-(2-amino-2-sulfanylideneethyl)-N'-ethyl-N'-(3-methylphenyl)oxamide
CID 61103383
N'-ethyl-N'-(3-methylphenyl)-N-(pyridin-4-ylmethyl)oxamide
CID 108518298
N'-ethyl-N-[(4-fluorophenyl)methyl]-N'-(3-methylphenyl)oxamide
CID 108530671
N'-ethyl-N'-(3-methylphenyl)-N-phenyloxamide
CID 108521844
N-(2,6-dimethylphenyl)-N'-ethyl-N'-(3-methylphenyl)oxamide
CID 108532413
N-ethyl-4-(3-methylbutylsulfamoyl)-N-(3-methylphenyl)benzamide
CID 109061323
N-ethyl-6-(3-methylbutylamino)-N-(3-methylphenyl)pyridine-3-carboxamide
CID 109161223
N-(2-tert-butylphenyl)-N'-ethyl-N'-(3-methylphenyl)oxamide
CID 108530217
N'-ethyl-N'-(3-methylphenyl)-N-[(4-sulfamoylphenyl)methyl]oxamide
CID 108520362
N'-ethyl-N'-(3-methylphenyl)-N-pyridin-3-yloxamide
CID 108526043

Frequently Asked Questions

What is the IUPAC name of N'-ethyl-N-(3-methylbutyl)-N'-(3-methylphenyl)oxamide?
The IUPAC name of N'-ethyl-N-(3-methylbutyl)-N'-(3-methylphenyl)oxamide (CID 108532502) is N'-ethyl-N-(3-methylbutyl)-N'-(3-methylphenyl)oxamide.
What is the SMILES notation for N'-ethyl-N-(3-methylbutyl)-N'-(3-methylphenyl)oxamide?
The canonical SMILES for N'-ethyl-N-(3-methylbutyl)-N'-(3-methylphenyl)oxamide is CCN(C(=O)C(=O)NCCC(C)C)c1cccc(C)c1.
What is the InChIKey of N'-ethyl-N-(3-methylbutyl)-N'-(3-methylphenyl)oxamide?
The InChIKey is REZUHZCHAPJFTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-5-18(14-8-6-7-13(4)11-14)16(20)15(19)17-10-9-12(2)3/h6-8,11-12H,5,9-10H2,1-4H3,(H,17,19).
What are the key properties of N'-ethyl-N-(3-methylbutyl)-N'-(3-methylphenyl)oxamide?
N'-ethyl-N-(3-methylbutyl)-N'-(3-methylphenyl)oxamide has a molecular weight of 276.38 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-N-(3-methylbutyl)-N'-(3-methylphenyl)oxamide is sourced from PubChem (CID 108532502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).