N-(3-acetamidophenyl)-N'-(2-amino-5-methylphenyl)oxamide

C17H18N4O3 — CID 108526668

IUPACN-(3-acetamidophenyl)-N'-(2-amino-5-methylphenyl)oxamide
SMILESCC(=O)Nc1cccc(NC(=O)C(=O)Nc2cc(C)ccc2N)c1
InChIInChI=1S/C17H18N4O3/c1-10-6-7-14(18)15(8-10)21-17(24)16(23)20-13-5-3-4-12(9-13)19-11(2)22/h3-9H,18H2,1-2H3,(H,19,22)(H,20,23)(H,21,24)
InChIKeyIWMYBMRRUSUDKN-UHFFFAOYSA-N
MW326.36 g/mol
LogP2.11
Rot. Bonds3

About N-(3-acetamidophenyl)-N'-(2-amino-5-methylphenyl)oxamide

N-(3-acetamidophenyl)-N'-(2-amino-5-methylphenyl)oxamide (PubChem CID 108526668) has the molecular formula C17H18N4O3 and a molecular weight of 326.36 g/mol. Its IUPAC name is N-(3-acetamidophenyl)-N'-(2-amino-5-methylphenyl)oxamide.

Molecular Properties

Compound NameN-(3-acetamidophenyl)-N'-(2-amino-5-methylphenyl)oxamide
PubChem CID108526668
Molecular FormulaC17H18N4O3
Molecular Weight326.36 g/mol
Exact Mass326.14
IUPAC NameN-(3-acetamidophenyl)-N'-(2-amino-5-methylphenyl)oxamide
SMILESCC(=O)Nc1cccc(NC(=O)C(=O)Nc2cc(C)ccc2N)c1
InChIInChI=1S/C17H18N4O3/c1-10-6-7-14(18)15(8-10)21-17(24)16(23)20-13-5-3-4-12(9-13)19-11(2)22/h3-9H,18H2,1-2H3,(H,19,22)(H,20,23)(H,21,24)
InChIKeyIWMYBMRRUSUDKN-UHFFFAOYSA-N
XLogP2.11
TPSA113.32 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 52.11
H-Bond Donors ≤ 54
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-(3-acetamidophenyl)-N'-(2,5-dimethylphenyl)oxamide
CID 45001294
N'-(3-acetamidophenyl)-N-(2-hydroxy-4-methylphenyl)oxamide
CID 108526616
N'-(2-amino-5-methylphenyl)-N-(4-hydroxyphenyl)oxamide
CID 108502143
N-(2-amino-5-methylphenyl)-N'-(2,6-dimethylphenyl)oxamide
CID 108532425
N'-(2-amino-5-methylphenyl)-N-(3,5-dichlorophenyl)oxamide
CID 108531086
N'-(2-amino-5-methylphenyl)-N-(4-tert-butylphenyl)oxamide
CID 108529851
N'-(2-amino-5-methylphenyl)-N-(4-methoxyphenyl)oxamide
CID 108502699
N'-(3-acetamidophenyl)-N-phenyloxamide
CID 45001278
N-(3-methylphenyl)acetamide
CID 10843
N'-(2,5-dimethylphenyl)-N-(3-hydroxyphenyl)oxamide
CID 45000850
[4-[[2-(2-amino-5-methylanilino)-2-oxoacetyl]amino]phenyl] thiocyanate
CID 108527869
N-(3-acetamidophenyl)-N'-(2-fluorophenyl)oxamide
CID 108520808

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamidophenyl)-N'-(2-amino-5-methylphenyl)oxamide?
The IUPAC name of N-(3-acetamidophenyl)-N'-(2-amino-5-methylphenyl)oxamide (CID 108526668) is N-(3-acetamidophenyl)-N'-(2-amino-5-methylphenyl)oxamide.
What is the SMILES notation for N-(3-acetamidophenyl)-N'-(2-amino-5-methylphenyl)oxamide?
The canonical SMILES for N-(3-acetamidophenyl)-N'-(2-amino-5-methylphenyl)oxamide is CC(=O)Nc1cccc(NC(=O)C(=O)Nc2cc(C)ccc2N)c1.
What is the InChIKey of N-(3-acetamidophenyl)-N'-(2-amino-5-methylphenyl)oxamide?
The InChIKey is IWMYBMRRUSUDKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O3/c1-10-6-7-14(18)15(8-10)21-17(24)16(23)20-13-5-3-4-12(9-13)19-11(2)22/h3-9H,18H2,1-2H3,(H,19,22)(H,20,23)(H,21,24).
What are the key properties of N-(3-acetamidophenyl)-N'-(2-amino-5-methylphenyl)oxamide?
N-(3-acetamidophenyl)-N'-(2-amino-5-methylphenyl)oxamide has a molecular weight of 326.36 g/mol, XLogP of 2.11, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamidophenyl)-N'-(2-amino-5-methylphenyl)oxamide is sourced from PubChem (CID 108526668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).