N-acetyl-N-(3-aminophenyl)-2-cyanoacetamide

C11H11N3O2 — CID 108814607

IUPACN-acetyl-N-(3-aminophenyl)-2-cyanoacetamide
SMILESCC(=O)N(C(=O)CC#N)c1cccc(N)c1
InChIInChI=1S/C11H11N3O2/c1-8(15)14(11(16)5-6-12)10-4-2-3-9(13)7-10/h2-4,7H,5,13H2,1H3
InChIKeyRCSHNIUZFFNLEG-UHFFFAOYSA-N
MW217.23 g/mol
LogP1.06
Rot. Bonds2

About N-acetyl-N-(3-aminophenyl)-2-cyanoacetamide

N-acetyl-N-(3-aminophenyl)-2-cyanoacetamide (PubChem CID 108814607) has the molecular formula C11H11N3O2 and a molecular weight of 217.23 g/mol. Its IUPAC name is N-acetyl-N-(3-aminophenyl)-2-cyanoacetamide.

Molecular Properties

Compound NameN-acetyl-N-(3-aminophenyl)-2-cyanoacetamide
PubChem CID108814607
Molecular FormulaC11H11N3O2
Molecular Weight217.23 g/mol
Exact Mass217.09
IUPAC NameN-acetyl-N-(3-aminophenyl)-2-cyanoacetamide
SMILESCC(=O)N(C(=O)CC#N)c1cccc(N)c1
InChIInChI=1S/C11H11N3O2/c1-8(15)14(11(16)5-6-12)10-4-2-3-9(13)7-10/h2-4,7H,5,13H2,1H3
InChIKeyRCSHNIUZFFNLEG-UHFFFAOYSA-N
XLogP1.06
TPSA87.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.23
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-acetyl-N-(3-aminophenyl)-2-cyanoacetamide 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-(2-cyanophenyl)oxamide
CID 108501598
N'-acetyl-N'-(3-aminophenyl)-N-methyl-N-phenyloxamide
CID 108520930
N-(3-aminophenyl)-N-[(4-methylphenyl)methylcarbamoyl]acetamide
CID 108899099
N-(3-aminophenyl)-4-cyano-N-ethylbenzamide
CID 63229875
N'-acetyl-N'-(3-aminophenyl)-N-benzyloxamide
CID 108508925
N-(3-aminophenyl)-N-[(3,5-dihydroxyphenyl)carbamoyl]acetamide
CID 108895501
N-(3-aminophenyl)-N-[(3,4,5-trihydroxyphenyl)carbamoyl]acetamide
CID 108871858
methyl 2-(N-acetyl-3-aminoanilino)acetate
CID 68837946
N-(3-aminophenyl)-N-[(4-ethoxyphenyl)methylcarbamoyl]acetamide
CID 108884466
N-(3-aminophenyl)-N-[(4-tert-butylphenyl)carbamoyl]acetamide
CID 108884825
N-(3-aminophenyl)-N-[(2-iodophenyl)carbamoyl]acetamide
CID 108868989
N-(3-aminophenyl)-2-cyclopropyl-N-ethylacetamide
CID 63229837

Frequently Asked Questions

What is the IUPAC name of N-acetyl-N-(3-aminophenyl)-2-cyanoacetamide?
The IUPAC name of N-acetyl-N-(3-aminophenyl)-2-cyanoacetamide (CID 108814607) is N-acetyl-N-(3-aminophenyl)-2-cyanoacetamide.
What is the SMILES notation for N-acetyl-N-(3-aminophenyl)-2-cyanoacetamide?
The canonical SMILES for N-acetyl-N-(3-aminophenyl)-2-cyanoacetamide is CC(=O)N(C(=O)CC#N)c1cccc(N)c1.
What is the InChIKey of N-acetyl-N-(3-aminophenyl)-2-cyanoacetamide?
The InChIKey is RCSHNIUZFFNLEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O2/c1-8(15)14(11(16)5-6-12)10-4-2-3-9(13)7-10/h2-4,7H,5,13H2,1H3.
What are the key properties of N-acetyl-N-(3-aminophenyl)-2-cyanoacetamide?
N-acetyl-N-(3-aminophenyl)-2-cyanoacetamide has a molecular weight of 217.23 g/mol, XLogP of 1.06, 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)-2-cyanoacetamide is sourced from PubChem (CID 108814607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).