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

C23H21N3O3 — CID 108508050

IUPACN'-acetyl-N'-(3-aminophenyl)-N-benzhydryloxamide
SMILESCC(=O)N(C(=O)C(=O)NC(c1ccccc1)c1ccccc1)c1cccc(N)c1
InChIInChI=1S/C23H21N3O3/c1-16(27)26(20-14-8-13-19(24)15-20)23(29)22(28)25-21(17-9-4-2-5-10-17)18-11-6-3-7-12-18/h2-15,21H,24H2,1H3,(H,25,28)
InChIKeyCASJPZJHBOXNON-UHFFFAOYSA-N
MW387.44 g/mol
LogP3.05
Rot. Bonds4

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

N'-acetyl-N'-(3-aminophenyl)-N-benzhydryloxamide (PubChem CID 108508050) has the molecular formula C23H21N3O3 and a molecular weight of 387.44 g/mol. Its IUPAC name is N'-acetyl-N'-(3-aminophenyl)-N-benzhydryloxamide.

Molecular Properties

Compound NameN'-acetyl-N'-(3-aminophenyl)-N-benzhydryloxamide
PubChem CID108508050
Molecular FormulaC23H21N3O3
Molecular Weight387.44 g/mol
Exact Mass387.16
IUPAC NameN'-acetyl-N'-(3-aminophenyl)-N-benzhydryloxamide
SMILESCC(=O)N(C(=O)C(=O)NC(c1ccccc1)c1ccccc1)c1cccc(N)c1
InChIInChI=1S/C23H21N3O3/c1-16(27)26(20-14-8-13-19(24)15-20)23(29)22(28)25-21(17-9-4-2-5-10-17)18-11-6-3-7-12-18/h2-15,21H,24H2,1H3,(H,25,28)
InChIKeyCASJPZJHBOXNON-UHFFFAOYSA-N
XLogP3.05
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 53.05
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'-acetyl-N'-(3-aminophenyl)-N-benzyloxamide
CID 108508925
N'-acetyl-N'-(3-aminophenyl)-N-methyl-N-phenyloxamide
CID 108520930
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-[3-(dimethylamino)phenyl]oxamide
CID 108526521
N'-acetyl-N'-(3-aminophenyl)-N-(2-cyanophenyl)oxamide
CID 108501598
N-(4-aminophenyl)-N-(benzhydrylcarbamoyl)acetamide
CID 108867377
N'-acetyl-N'-(3-aminophenyl)-N-(6-methyl-2-pyridinyl)oxamide
CID 108525696
N'-acetyl-N'-(3-aminophenyl)-N-(4-iodo-2-methylphenyl)oxamide
CID 108516382
N'-acetyl-N'-(3-aminophenyl)-N-[2-(2-hydroxyethoxy)ethyl]oxamide
CID 108524279
N'-acetyl-N'-(3-aminophenyl)-N-(2-morpholin-4-ylphenyl)oxamide
CID 108526488
N'-acetyl-N'-(3-aminophenyl)-N-(4-chloro-3-nitrophenyl)oxamide
CID 108512765

Frequently Asked Questions

What is the IUPAC name of N'-acetyl-N'-(3-aminophenyl)-N-benzhydryloxamide?
The IUPAC name of N'-acetyl-N'-(3-aminophenyl)-N-benzhydryloxamide (CID 108508050) is N'-acetyl-N'-(3-aminophenyl)-N-benzhydryloxamide.
What is the SMILES notation for N'-acetyl-N'-(3-aminophenyl)-N-benzhydryloxamide?
The canonical SMILES for N'-acetyl-N'-(3-aminophenyl)-N-benzhydryloxamide is CC(=O)N(C(=O)C(=O)NC(c1ccccc1)c1ccccc1)c1cccc(N)c1.
What is the InChIKey of N'-acetyl-N'-(3-aminophenyl)-N-benzhydryloxamide?
The InChIKey is CASJPZJHBOXNON-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O3/c1-16(27)26(20-14-8-13-19(24)15-20)23(29)22(28)25-21(17-9-4-2-5-10-17)18-11-6-3-7-12-18/h2-15,21H,24H2,1H3,(H,25,28).
What are the key properties of N'-acetyl-N'-(3-aminophenyl)-N-benzhydryloxamide?
N'-acetyl-N'-(3-aminophenyl)-N-benzhydryloxamide has a molecular weight of 387.44 g/mol, XLogP of 3.05, 4 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-benzhydryloxamide is sourced from PubChem (CID 108508050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).