N'-(2-aminobenzoyl)-N-(3,4-dimethylphenyl)oxamide

C17H17N3O3 — CID 108523134

IUPACN'-(2-aminobenzoyl)-N-(3,4-dimethylphenyl)oxamide
SMILESCc1ccc(NC(=O)C(=O)NC(=O)c2ccccc2N)cc1C
InChIInChI=1S/C17H17N3O3/c1-10-7-8-12(9-11(10)2)19-16(22)17(23)20-15(21)13-5-3-4-6-14(13)18/h3-9H,18H2,1-2H3,(H,19,22)(H,20,21,23)
InChIKeyPOZZIXOPUWAEOS-UHFFFAOYSA-N
MW311.34 g/mol
LogP1.78
Rot. Bonds2

About N'-(2-aminobenzoyl)-N-(3,4-dimethylphenyl)oxamide

N'-(2-aminobenzoyl)-N-(3,4-dimethylphenyl)oxamide (PubChem CID 108523134) has the molecular formula C17H17N3O3 and a molecular weight of 311.34 g/mol. Its IUPAC name is N'-(2-aminobenzoyl)-N-(3,4-dimethylphenyl)oxamide.

Molecular Properties

Compound NameN'-(2-aminobenzoyl)-N-(3,4-dimethylphenyl)oxamide
PubChem CID108523134
Molecular FormulaC17H17N3O3
Molecular Weight311.34 g/mol
Exact Mass311.13
IUPAC NameN'-(2-aminobenzoyl)-N-(3,4-dimethylphenyl)oxamide
SMILESCc1ccc(NC(=O)C(=O)NC(=O)c2ccccc2N)cc1C
InChIInChI=1S/C17H17N3O3/c1-10-7-8-12(9-11(10)2)19-16(22)17(23)20-15(21)13-5-3-4-6-14(13)18/h3-9H,18H2,1-2H3,(H,19,22)(H,20,21,23)
InChIKeyPOZZIXOPUWAEOS-UHFFFAOYSA-N
XLogP1.78
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 51.78
H-Bond Donors ≤ 53
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,N'-bis(3,4-dimethylphenyl)oxamide
CID 3278038
N'-(2-aminobenzoyl)-N-(6-methyl-2-pyridinyl)oxamide
CID 108525721
N'-(2-aminobenzoyl)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]oxamide
CID 108529403
N-[(3,4-dimethylphenyl)carbamothioyl]-2-iodobenzamide
CID 1048226
N-[(3,4-dimethylphenyl)carbamothioyl]-2-fluorobenzamide
CID 881377
2-amino-N-[(E)-1-(3,4-dimethylphenyl)ethylideneamino]benzamide
CID 21370947
2-amino-N-[3-(2,2-dimethylpropanoylamino)-4-methylphenyl]benzamide;hydrochloride
CID 119945361
N-(3,4-dimethylphenyl)-2,3-dimethylbenzamide
CID 26593883
2-amino-N-(5-bromo-2-methylphenyl)benzamide
CID 43805810
N-[(3,4-dimethylphenyl)carbamothioyl]naphthalene-1-carboxamide
CID 882008
N'-(2-aminobenzoyl)-N-(2-ethoxyphenyl)oxamide
CID 108529371
N'-(2-aminobenzoyl)-N-[(4-methylphenyl)methyl]oxamide
CID 108518149

Frequently Asked Questions

What is the IUPAC name of N'-(2-aminobenzoyl)-N-(3,4-dimethylphenyl)oxamide?
The IUPAC name of N'-(2-aminobenzoyl)-N-(3,4-dimethylphenyl)oxamide (CID 108523134) is N'-(2-aminobenzoyl)-N-(3,4-dimethylphenyl)oxamide.
What is the SMILES notation for N'-(2-aminobenzoyl)-N-(3,4-dimethylphenyl)oxamide?
The canonical SMILES for N'-(2-aminobenzoyl)-N-(3,4-dimethylphenyl)oxamide is Cc1ccc(NC(=O)C(=O)NC(=O)c2ccccc2N)cc1C.
What is the InChIKey of N'-(2-aminobenzoyl)-N-(3,4-dimethylphenyl)oxamide?
The InChIKey is POZZIXOPUWAEOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3/c1-10-7-8-12(9-11(10)2)19-16(22)17(23)20-15(21)13-5-3-4-6-14(13)18/h3-9H,18H2,1-2H3,(H,19,22)(H,20,21,23).
What are the key properties of N'-(2-aminobenzoyl)-N-(3,4-dimethylphenyl)oxamide?
N'-(2-aminobenzoyl)-N-(3,4-dimethylphenyl)oxamide has a molecular weight of 311.34 g/mol, XLogP of 1.78, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-aminobenzoyl)-N-(3,4-dimethylphenyl)oxamide is sourced from PubChem (CID 108523134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).