N'-acetyl-N'-(3-aminophenyl)-N-methyl-N-phenyloxamide

C17H17N3O3 — CID 108520930

IUPACN'-acetyl-N'-(3-aminophenyl)-N-methyl-N-phenyloxamide
SMILESCC(=O)N(C(=O)C(=O)N(C)c1ccccc1)c1cccc(N)c1
InChIInChI=1S/C17H17N3O3/c1-12(21)20(15-10-6-7-13(18)11-15)17(23)16(22)19(2)14-8-4-3-5-9-14/h3-11H,18H2,1-2H3
InChIKeyYKOITRLELIVHKF-UHFFFAOYSA-N
MW311.34 g/mol
LogP1.81
Rot. Bonds2

About N'-acetyl-N'-(3-aminophenyl)-N-methyl-N-phenyloxamide

N'-acetyl-N'-(3-aminophenyl)-N-methyl-N-phenyloxamide (PubChem CID 108520930) has the molecular formula C17H17N3O3 and a molecular weight of 311.34 g/mol. Its IUPAC name is N'-acetyl-N'-(3-aminophenyl)-N-methyl-N-phenyloxamide.

Molecular Properties

Compound NameN'-acetyl-N'-(3-aminophenyl)-N-methyl-N-phenyloxamide
PubChem CID108520930
Molecular FormulaC17H17N3O3
Molecular Weight311.34 g/mol
Exact Mass311.13
IUPAC NameN'-acetyl-N'-(3-aminophenyl)-N-methyl-N-phenyloxamide
SMILESCC(=O)N(C(=O)C(=O)N(C)c1ccccc1)c1cccc(N)c1
InChIInChI=1S/C17H17N3O3/c1-12(21)20(15-10-6-7-13(18)11-15)17(23)16(22)19(2)14-8-4-3-5-9-14/h3-11H,18H2,1-2H3
InChIKeyYKOITRLELIVHKF-UHFFFAOYSA-N
XLogP1.81
TPSA83.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N'-acetyl-N'-(3-aminophenyl)-N-methyl-N-phenyloxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-acetyl-N'-(3-aminophenyl)-N-benzhydryloxamide
CID 108508050
N'-acetyl-N'-(3-aminophenyl)-N-benzyloxamide
CID 108508925
N'-acetyl-N'-(3-aminophenyl)-N-[3-(dimethylamino)phenyl]oxamide
CID 108526521
N'-acetyl-N'-(3-aminophenyl)-N-pyridin-2-yloxamide
CID 108525895
N'-acetyl-N'-(3-aminophenyl)-N-naphthalen-2-yloxamide
CID 108526505
N'-acetyl-N'-(3-aminophenyl)-N-(2-cyanophenyl)oxamide
CID 108501598
N-acetyl-N-(3-aminophenyl)-2-cyanoacetamide
CID 108814607
N'-acetyl-N'-(3-aminophenyl)-N-(6-methyl-2-pyridinyl)oxamide
CID 108525696
N-(3-aminophenyl)-N-[(2-iodophenyl)carbamoyl]acetamide
CID 108868989
N-acetyl-N-(3-aminophenyl)-2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoacetamide
CID 108505664
N'-acetyl-N'-(3-aminophenyl)-N-(4-iodo-2-methylphenyl)oxamide
CID 108516382
N-(3-aminophenyl)-N-[(3,5-dihydroxyphenyl)carbamoyl]acetamide
CID 108895501

Frequently Asked Questions

What is the IUPAC name of N'-acetyl-N'-(3-aminophenyl)-N-methyl-N-phenyloxamide?
The IUPAC name of N'-acetyl-N'-(3-aminophenyl)-N-methyl-N-phenyloxamide (CID 108520930) is N'-acetyl-N'-(3-aminophenyl)-N-methyl-N-phenyloxamide.
What is the SMILES notation for N'-acetyl-N'-(3-aminophenyl)-N-methyl-N-phenyloxamide?
The canonical SMILES for N'-acetyl-N'-(3-aminophenyl)-N-methyl-N-phenyloxamide is CC(=O)N(C(=O)C(=O)N(C)c1ccccc1)c1cccc(N)c1.
What is the InChIKey of N'-acetyl-N'-(3-aminophenyl)-N-methyl-N-phenyloxamide?
The InChIKey is YKOITRLELIVHKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3/c1-12(21)20(15-10-6-7-13(18)11-15)17(23)16(22)19(2)14-8-4-3-5-9-14/h3-11H,18H2,1-2H3.
What are the key properties of N'-acetyl-N'-(3-aminophenyl)-N-methyl-N-phenyloxamide?
N'-acetyl-N'-(3-aminophenyl)-N-methyl-N-phenyloxamide has a molecular weight of 311.34 g/mol, XLogP of 1.81, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-acetyl-N'-(3-aminophenyl)-N-methyl-N-phenyloxamide is sourced from PubChem (CID 108520930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).