4-amino-N-ethoxybenzamide

C9H12N2O2 — CID 62058413

IUPAC4-amino-N-ethoxybenzamide
SMILESCCONC(=O)c1ccc(N)cc1
InChIInChI=1S/C9H12N2O2/c1-2-13-11-9(12)7-3-5-8(10)6-4-7/h3-6H,2,10H2,1H3,(H,11,12)
InChIKeyALXFQEHTGICIAP-UHFFFAOYSA-N
MW180.21 g/mol
LogP0.95
Rot. Bonds3

About 4-amino-N-ethoxybenzamide

4-amino-N-ethoxybenzamide (PubChem CID 62058413) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is 4-amino-N-ethoxybenzamide.

Molecular Properties

Compound Name4-amino-N-ethoxybenzamide
PubChem CID62058413
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC Name4-amino-N-ethoxybenzamide
SMILESCCONC(=O)c1ccc(N)cc1
InChIInChI=1S/C9H12N2O2/c1-2-13-11-9(12)7-3-5-8(10)6-4-7/h3-6H,2,10H2,1H3,(H,11,12)
InChIKeyALXFQEHTGICIAP-UHFFFAOYSA-N
XLogP0.95
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-amino-N-ethoxybenzamide 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

4-amino-N-[[(4-aminobenzoyl)amino]oxy-diethylstannyl]oxybenzamide
CID 16689083
3-amino-4-bromo-N-ethoxybenzamide
CID 107813148
N-ethoxy-4-(2-phenylethynyl)benzamide
CID 18169125
N-ethoxy-4-prop-2-enoxybenzamide
CID 60735511
ethyl 4-aminobenzoate
CID 2337
4-amino-N-[[(4-aminobenzoyl)amino]oxy-dimethylstannyl]oxybenzamide
CID 16688807
4-(cyclopropylmethoxy)-N-ethoxybenzamide
CID 60572474
N-ethoxy-4-(2H-tetrazol-5-yl)benzamide
CID 60717193
4-chloro-N-ethoxy-3-methylbenzamide
CID 115694489
4-bromo-N-ethoxy-3-methylbenzamide
CID 115769561
N-ethoxy-2H-benzotriazole-5-carboxamide
CID 47143794
4-amino-N-(4-aminophenyl)benzamide;ethanamine
CID 19078068

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-ethoxybenzamide?
The IUPAC name of 4-amino-N-ethoxybenzamide (CID 62058413) is 4-amino-N-ethoxybenzamide.
What is the SMILES notation for 4-amino-N-ethoxybenzamide?
The canonical SMILES for 4-amino-N-ethoxybenzamide is CCONC(=O)c1ccc(N)cc1.
What is the InChIKey of 4-amino-N-ethoxybenzamide?
The InChIKey is ALXFQEHTGICIAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2/c1-2-13-11-9(12)7-3-5-8(10)6-4-7/h3-6H,2,10H2,1H3,(H,11,12).
What are the key properties of 4-amino-N-ethoxybenzamide?
4-amino-N-ethoxybenzamide has a molecular weight of 180.21 g/mol, XLogP of 0.95, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-ethoxybenzamide is sourced from PubChem (CID 62058413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).