N-(3-aminophenyl)-2-ethoxypropanamide

C11H16N2O2 — CID 16782214

IUPACN-(3-aminophenyl)-2-ethoxypropanamide
SMILESCCOC(C)C(=O)Nc1cccc(N)c1
InChIInChI=1S/C11H16N2O2/c1-3-15-8(2)11(14)13-10-6-4-5-9(12)7-10/h4-8H,3,12H2,1-2H3,(H,13,14)
InChIKeyBUXWVYYTFHOVRW-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.63
Rot. Bonds4

About N-(3-aminophenyl)-2-ethoxypropanamide

N-(3-aminophenyl)-2-ethoxypropanamide (PubChem CID 16782214) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is N-(3-aminophenyl)-2-ethoxypropanamide.

Molecular Properties

Compound NameN-(3-aminophenyl)-2-ethoxypropanamide
PubChem CID16782214
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC NameN-(3-aminophenyl)-2-ethoxypropanamide
SMILESCCOC(C)C(=O)Nc1cccc(N)c1
InChIInChI=1S/C11H16N2O2/c1-3-15-8(2)11(14)13-10-6-4-5-9(12)7-10/h4-8H,3,12H2,1-2H3,(H,13,14)
InChIKeyBUXWVYYTFHOVRW-UHFFFAOYSA-N
XLogP1.63
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(3-aminophenyl)-2-ethoxypropanamide 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

(2S)-N-(3-aminophenyl)-2-methylbutanamide
CID 40788840
N-(3-aminophenyl)-2-(3,3,3-trifluoropropoxy)propanamide
CID 82954605
(2R)-N-(3-aminophenyl)-2-methylpentanamide
CID 40788841
(2S)-N-(3-aminophenyl)-2-methylpentanamide
CID 40788842
N-(3-cyanophenyl)-2-ethoxypropanamide
CID 43187565
2-amino-N-(3-aminophenyl)propanamide
CID 110478892
N-(3-aminophenyl)-2-(dipropylamino)propanamide
CID 16778715
N-[3-(2-aminoethylsulfamoyl)phenyl]-2-ethoxypropanamide
CID 119465913
(2S)-2-amino-N-(3-aminophenyl)-4-methylpentanamide
CID 110482503
pentan-2-yl N-(3-aminophenyl)carbamate
CID 102982916
N-(3-aminophenyl)-2-(2-iodophenoxy)propanamide
CID 43479667
N-(3-aminophenyl)-2-butylsulfonylpropanamide
CID 43615888

Frequently Asked Questions

What is the IUPAC name of N-(3-aminophenyl)-2-ethoxypropanamide?
The IUPAC name of N-(3-aminophenyl)-2-ethoxypropanamide (CID 16782214) is N-(3-aminophenyl)-2-ethoxypropanamide.
What is the SMILES notation for N-(3-aminophenyl)-2-ethoxypropanamide?
The canonical SMILES for N-(3-aminophenyl)-2-ethoxypropanamide is CCOC(C)C(=O)Nc1cccc(N)c1.
What is the InChIKey of N-(3-aminophenyl)-2-ethoxypropanamide?
The InChIKey is BUXWVYYTFHOVRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-3-15-8(2)11(14)13-10-6-4-5-9(12)7-10/h4-8H,3,12H2,1-2H3,(H,13,14).
What are the key properties of N-(3-aminophenyl)-2-ethoxypropanamide?
N-(3-aminophenyl)-2-ethoxypropanamide has a molecular weight of 208.26 g/mol, XLogP of 1.63, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminophenyl)-2-ethoxypropanamide is sourced from PubChem (CID 16782214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).