N-(2-aminobenzoyl)-N'-ethyl-N'-(3-methylphenyl)oxamide

C18H19N3O3 — CID 108529447

IUPACN-(2-aminobenzoyl)-N'-ethyl-N'-(3-methylphenyl)oxamide
SMILESCCN(C(=O)C(=O)NC(=O)c1ccccc1N)c1cccc(C)c1
InChIInChI=1S/C18H19N3O3/c1-3-21(13-8-6-7-12(2)11-13)18(24)17(23)20-16(22)14-9-4-5-10-15(14)19/h4-11H,3,19H2,1-2H3,(H,20,22,23)
InChIKeyMLOYBJTWVPPGEF-UHFFFAOYSA-N
MW325.37 g/mol
LogP1.89
Rot. Bonds3

About N-(2-aminobenzoyl)-N'-ethyl-N'-(3-methylphenyl)oxamide

N-(2-aminobenzoyl)-N'-ethyl-N'-(3-methylphenyl)oxamide (PubChem CID 108529447) has the molecular formula C18H19N3O3 and a molecular weight of 325.37 g/mol. Its IUPAC name is N-(2-aminobenzoyl)-N'-ethyl-N'-(3-methylphenyl)oxamide.

Molecular Properties

Compound NameN-(2-aminobenzoyl)-N'-ethyl-N'-(3-methylphenyl)oxamide
PubChem CID108529447
Molecular FormulaC18H19N3O3
Molecular Weight325.37 g/mol
Exact Mass325.14
IUPAC NameN-(2-aminobenzoyl)-N'-ethyl-N'-(3-methylphenyl)oxamide
SMILESCCN(C(=O)C(=O)NC(=O)c1ccccc1N)c1cccc(C)c1
InChIInChI=1S/C18H19N3O3/c1-3-21(13-8-6-7-12(2)11-13)18(24)17(23)20-16(22)14-9-4-5-10-15(14)19/h4-11H,3,19H2,1-2H3,(H,20,22,23)
InChIKeyMLOYBJTWVPPGEF-UHFFFAOYSA-N
XLogP1.89
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-ethyl-N'-(3-methylphenyl)-N-phenyloxamide
CID 108521844
N-(2,6-dimethylphenyl)-N'-ethyl-N'-(3-methylphenyl)oxamide
CID 108532413
N-(2-amino-2-sulfanylideneethyl)-N'-ethyl-N'-(3-methylphenyl)oxamide
CID 61103383
2-(2-amino-2-sulfanylideneethyl)-N-ethyl-N-(3-methylphenyl)benzamide
CID 94806445
N-(2-tert-butylphenyl)-N'-ethyl-N'-(3-methylphenyl)oxamide
CID 108530217
N'-ethyl-N'-(3-methylphenyl)-N-pyridin-3-yloxamide
CID 108526043
N'-ethyl-N-(3-methylbutyl)-N'-(3-methylphenyl)oxamide
CID 108532502
N-ethyl-3-fluoro-2-hydrazinyl-N-(3-methylphenyl)benzamide
CID 62660273
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)carbamoyl chloride
CID 79001605
6-amino-N-ethyl-N-(3-methylphenyl)pyridine-2-carboxamide
CID 62239482

Frequently Asked Questions

What is the IUPAC name of N-(2-aminobenzoyl)-N'-ethyl-N'-(3-methylphenyl)oxamide?
The IUPAC name of N-(2-aminobenzoyl)-N'-ethyl-N'-(3-methylphenyl)oxamide (CID 108529447) is N-(2-aminobenzoyl)-N'-ethyl-N'-(3-methylphenyl)oxamide.
What is the SMILES notation for N-(2-aminobenzoyl)-N'-ethyl-N'-(3-methylphenyl)oxamide?
The canonical SMILES for N-(2-aminobenzoyl)-N'-ethyl-N'-(3-methylphenyl)oxamide is CCN(C(=O)C(=O)NC(=O)c1ccccc1N)c1cccc(C)c1.
What is the InChIKey of N-(2-aminobenzoyl)-N'-ethyl-N'-(3-methylphenyl)oxamide?
The InChIKey is MLOYBJTWVPPGEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3/c1-3-21(13-8-6-7-12(2)11-13)18(24)17(23)20-16(22)14-9-4-5-10-15(14)19/h4-11H,3,19H2,1-2H3,(H,20,22,23).
What are the key properties of N-(2-aminobenzoyl)-N'-ethyl-N'-(3-methylphenyl)oxamide?
N-(2-aminobenzoyl)-N'-ethyl-N'-(3-methylphenyl)oxamide has a molecular weight of 325.37 g/mol, XLogP of 1.89, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminobenzoyl)-N'-ethyl-N'-(3-methylphenyl)oxamide is sourced from PubChem (CID 108529447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).