N'-acetyl-N'-(3-aminophenyl)-N-benzyloxamide

C17H17N3O3 — CID 108508925

IUPACN'-acetyl-N'-(3-aminophenyl)-N-benzyloxamide
SMILESCC(=O)N(C(=O)C(=O)NCc1ccccc1)c1cccc(N)c1
InChIInChI=1S/C17H17N3O3/c1-12(21)20(15-9-5-8-14(18)10-15)17(23)16(22)19-11-13-6-3-2-4-7-13/h2-10H,11,18H2,1H3,(H,19,22)
InChIKeyGVWCENWIESMZOI-UHFFFAOYSA-N
MW311.34 g/mol
LogP1.46
Rot. Bonds3

About N'-acetyl-N'-(3-aminophenyl)-N-benzyloxamide

N'-acetyl-N'-(3-aminophenyl)-N-benzyloxamide (PubChem CID 108508925) has the molecular formula C17H17N3O3 and a molecular weight of 311.34 g/mol. Its IUPAC name is N'-acetyl-N'-(3-aminophenyl)-N-benzyloxamide.

Molecular Properties

Compound NameN'-acetyl-N'-(3-aminophenyl)-N-benzyloxamide
PubChem CID108508925
Molecular FormulaC17H17N3O3
Molecular Weight311.34 g/mol
Exact Mass311.13
IUPAC NameN'-acetyl-N'-(3-aminophenyl)-N-benzyloxamide
SMILESCC(=O)N(C(=O)C(=O)NCc1ccccc1)c1cccc(N)c1
InChIInChI=1S/C17H17N3O3/c1-12(21)20(15-9-5-8-14(18)10-15)17(23)16(22)19-11-13-6-3-2-4-7-13/h2-10H,11,18H2,1H3,(H,19,22)
InChIKeyGVWCENWIESMZOI-UHFFFAOYSA-N
XLogP1.46
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 51.46
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-(3-aminophenyl)-N-[(4-methylphenyl)methylcarbamoyl]acetamide
CID 108899099
N'-acetyl-N'-(3-aminophenyl)-N-benzhydryloxamide
CID 108508050
N'-acetyl-N'-(3-aminophenyl)-N-methyl-N-phenyloxamide
CID 108520930
N'-acetyl-N'-(3-aminophenyl)-N-[2-(2-hydroxyethoxy)ethyl]oxamide
CID 108524279
N'-acetyl-N'-(3-aminophenyl)-N-[2-(4-sulfamoylphenyl)ethyl]oxamide
CID 108526549
N'-acetyl-N'-(3-aminophenyl)-N-[2-(1H-indol-3-yl)ethyl]oxamide
CID 108526611
N'-acetyl-N'-(3-aminophenyl)-N-(3-butoxypropyl)oxamide
CID 108506572
N'-acetyl-N'-(3-aminophenyl)-N-pyridin-2-yloxamide
CID 108525895
N'-acetyl-N'-(3-aminophenyl)-N-naphthalen-2-yloxamide
CID 108526505
N-(3-aminophenyl)-N-[(4-ethoxyphenyl)methylcarbamoyl]acetamide
CID 108884466
N'-acetyl-N'-(3-aminophenyl)-N-[3-(dimethylamino)phenyl]oxamide
CID 108526521
N'-acetyl-N'-(3-aminophenyl)-N-(2-cyanophenyl)oxamide
CID 108501598

Frequently Asked Questions

What is the IUPAC name of N'-acetyl-N'-(3-aminophenyl)-N-benzyloxamide?
The IUPAC name of N'-acetyl-N'-(3-aminophenyl)-N-benzyloxamide (CID 108508925) is N'-acetyl-N'-(3-aminophenyl)-N-benzyloxamide.
What is the SMILES notation for N'-acetyl-N'-(3-aminophenyl)-N-benzyloxamide?
The canonical SMILES for N'-acetyl-N'-(3-aminophenyl)-N-benzyloxamide is CC(=O)N(C(=O)C(=O)NCc1ccccc1)c1cccc(N)c1.
What is the InChIKey of N'-acetyl-N'-(3-aminophenyl)-N-benzyloxamide?
The InChIKey is GVWCENWIESMZOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3/c1-12(21)20(15-9-5-8-14(18)10-15)17(23)16(22)19-11-13-6-3-2-4-7-13/h2-10H,11,18H2,1H3,(H,19,22).
What are the key properties of N'-acetyl-N'-(3-aminophenyl)-N-benzyloxamide?
N'-acetyl-N'-(3-aminophenyl)-N-benzyloxamide has a molecular weight of 311.34 g/mol, XLogP of 1.46, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-acetyl-N'-(3-aminophenyl)-N-benzyloxamide is sourced from PubChem (CID 108508925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).