N'-ethyl-N'-(3-methylphenyl)-N-phenyloxamide

C17H18N2O2 — CID 108521844

IUPACN'-ethyl-N'-(3-methylphenyl)-N-phenyloxamide
SMILESCCN(C(=O)C(=O)Nc1ccccc1)c1cccc(C)c1
InChIInChI=1S/C17H18N2O2/c1-3-19(15-11-7-8-13(2)12-15)17(21)16(20)18-14-9-5-4-6-10-14/h4-12H,3H2,1-2H3,(H,18,20)
InChIKeyZIZJTSGDFQIPLM-UHFFFAOYSA-N
MW282.34 g/mol
LogP2.99
Rot. Bonds3

About N'-ethyl-N'-(3-methylphenyl)-N-phenyloxamide

N'-ethyl-N'-(3-methylphenyl)-N-phenyloxamide (PubChem CID 108521844) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is N'-ethyl-N'-(3-methylphenyl)-N-phenyloxamide.

Molecular Properties

Compound NameN'-ethyl-N'-(3-methylphenyl)-N-phenyloxamide
PubChem CID108521844
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC NameN'-ethyl-N'-(3-methylphenyl)-N-phenyloxamide
SMILESCCN(C(=O)C(=O)Nc1ccccc1)c1cccc(C)c1
InChIInChI=1S/C17H18N2O2/c1-3-19(15-11-7-8-13(2)12-15)17(21)16(20)18-14-9-5-4-6-10-14/h4-12H,3H2,1-2H3,(H,18,20)
InChIKeyZIZJTSGDFQIPLM-UHFFFAOYSA-N
XLogP2.99
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 52.99
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'-ethyl-N'-(3-methylphenyl)-N-pyridin-3-yloxamide
CID 108526043
N-(2,6-dimethylphenyl)-N'-ethyl-N'-(3-methylphenyl)oxamide
CID 108532413
N'-ethyl-N'-(3-methylphenyl)-N-(3-nitrophenyl)oxamide
CID 108513389
N-(2-tert-butylphenyl)-N'-ethyl-N'-(3-methylphenyl)oxamide
CID 108530217
1-ethyl-1-(3-methylphenyl)-3-phenylthiourea
CID 115577646
N-(3-chlorophenyl)-N'-ethyl-N'-phenyloxamide
CID 108516466
N-(2-chloro-4,6-dimethylphenyl)-N'-ethyl-N'-(3-methylphenyl)oxamide
CID 108532234
N'-ethyl-N-[(4-fluorophenyl)methyl]-N'-(3-methylphenyl)oxamide
CID 108530671
N-(2-amino-2-sulfanylideneethyl)-N'-ethyl-N'-(3-methylphenyl)oxamide
CID 61103383
N'-ethyl-N-(3-methylbutyl)-N'-(3-methylphenyl)oxamide
CID 108532502
N-(2-aminobenzoyl)-N'-ethyl-N'-(3-methylphenyl)oxamide
CID 108529447
N'-ethyl-N'-(3-methylphenyl)-N-(pyridin-4-ylmethyl)oxamide
CID 108518298

Frequently Asked Questions

What is the IUPAC name of N'-ethyl-N'-(3-methylphenyl)-N-phenyloxamide?
The IUPAC name of N'-ethyl-N'-(3-methylphenyl)-N-phenyloxamide (CID 108521844) is N'-ethyl-N'-(3-methylphenyl)-N-phenyloxamide.
What is the SMILES notation for N'-ethyl-N'-(3-methylphenyl)-N-phenyloxamide?
The canonical SMILES for N'-ethyl-N'-(3-methylphenyl)-N-phenyloxamide is CCN(C(=O)C(=O)Nc1ccccc1)c1cccc(C)c1.
What is the InChIKey of N'-ethyl-N'-(3-methylphenyl)-N-phenyloxamide?
The InChIKey is ZIZJTSGDFQIPLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2/c1-3-19(15-11-7-8-13(2)12-15)17(21)16(20)18-14-9-5-4-6-10-14/h4-12H,3H2,1-2H3,(H,18,20).
What are the key properties of N'-ethyl-N'-(3-methylphenyl)-N-phenyloxamide?
N'-ethyl-N'-(3-methylphenyl)-N-phenyloxamide has a molecular weight of 282.34 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-N'-(3-methylphenyl)-N-phenyloxamide is sourced from PubChem (CID 108521844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).