N-(4-aminophenyl)-N-(benzhydrylcarbamoyl)acetamide

C22H21N3O2 — CID 108867377

IUPACN-(4-aminophenyl)-N-(benzhydrylcarbamoyl)acetamide
SMILESCC(=O)N(C(=O)NC(c1ccccc1)c1ccccc1)c1ccc(N)cc1
InChIInChI=1S/C22H21N3O2/c1-16(26)25(20-14-12-19(23)13-15-20)22(27)24-21(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-15,21H,23H2,1H3,(H,24,27)
InChIKeyOCOJSWXKWRGBQI-UHFFFAOYSA-N
MW359.43 g/mol
LogP4.12
Rot. Bonds4

About N-(4-aminophenyl)-N-(benzhydrylcarbamoyl)acetamide

N-(4-aminophenyl)-N-(benzhydrylcarbamoyl)acetamide (PubChem CID 108867377) has the molecular formula C22H21N3O2 and a molecular weight of 359.43 g/mol. Its IUPAC name is N-(4-aminophenyl)-N-(benzhydrylcarbamoyl)acetamide.

Molecular Properties

Compound NameN-(4-aminophenyl)-N-(benzhydrylcarbamoyl)acetamide
PubChem CID108867377
Molecular FormulaC22H21N3O2
Molecular Weight359.43 g/mol
Exact Mass359.16
IUPAC NameN-(4-aminophenyl)-N-(benzhydrylcarbamoyl)acetamide
SMILESCC(=O)N(C(=O)NC(c1ccccc1)c1ccccc1)c1ccc(N)cc1
InChIInChI=1S/C22H21N3O2/c1-16(26)25(20-14-12-19(23)13-15-20)22(27)24-21(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-15,21H,23H2,1H3,(H,24,27)
InChIKeyOCOJSWXKWRGBQI-UHFFFAOYSA-N
XLogP4.12
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_K(2)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze N-(4-aminophenyl)-N-(benzhydrylcarbamoyl)acetamide 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

3-benzhydryl-1,1-dimethylurea
CID 2228466
N'-acetyl-N'-(3-aminophenyl)-N-benzhydryloxamide
CID 108508050
N-(4-aminophenyl)-N-[1-(4-hydroxyphenoxy)ethylcarbamoyl]acetamide
CID 108870919
N-(4-aminophenyl)-N-[[4-(dimethylamino)phenyl]carbamoyl]acetamide
CID 108894693
N-(4-aminophenyl)-N-(thiophen-2-ylcarbamoyl)acetamide
CID 108889107
N-(carbamoylcarbamoyl)-N-phenylacetamide
CID 165346153
1-(4-aminophenyl)-3-pentan-3-yl-1-phenylurea
CID 108888323
N-(4-aminophenyl)-N-[(4-methylphenyl)methylcarbamoyl]acetamide
CID 108899030
3-benzhydryl-1,1-bis(2-hydroxyethyl)urea
CID 108867415
3-benzhydryl-1,1-dibutylurea
CID 108867480
N-(4-aminophenyl)-N-[2-(2-methoxyphenyl)ethylcarbamoyl]acetamide
CID 108899832
N-(4-aminophenyl)-N-[(3-bromophenyl)methylcarbamoyl]acetamide
CID 108898789

Frequently Asked Questions

What is the IUPAC name of N-(4-aminophenyl)-N-(benzhydrylcarbamoyl)acetamide?
The IUPAC name of N-(4-aminophenyl)-N-(benzhydrylcarbamoyl)acetamide (CID 108867377) is N-(4-aminophenyl)-N-(benzhydrylcarbamoyl)acetamide.
What is the SMILES notation for N-(4-aminophenyl)-N-(benzhydrylcarbamoyl)acetamide?
The canonical SMILES for N-(4-aminophenyl)-N-(benzhydrylcarbamoyl)acetamide is CC(=O)N(C(=O)NC(c1ccccc1)c1ccccc1)c1ccc(N)cc1.
What is the InChIKey of N-(4-aminophenyl)-N-(benzhydrylcarbamoyl)acetamide?
The InChIKey is OCOJSWXKWRGBQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O2/c1-16(26)25(20-14-12-19(23)13-15-20)22(27)24-21(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-15,21H,23H2,1H3,(H,24,27).
What are the key properties of N-(4-aminophenyl)-N-(benzhydrylcarbamoyl)acetamide?
N-(4-aminophenyl)-N-(benzhydrylcarbamoyl)acetamide has a molecular weight of 359.43 g/mol, XLogP of 4.12, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminophenyl)-N-(benzhydrylcarbamoyl)acetamide is sourced from PubChem (CID 108867377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).