N-ethoxypropanamide

C5H11NO2 — CID 15026070

IUPACN-ethoxypropanamide
SMILESCCONC(=O)CC
InChIInChI=1S/C5H11NO2/c1-3-5(7)6-8-4-2/h3-4H2,1-2H3,(H,6,7)
InChIKeyYYBJGWLBLTTZLN-UHFFFAOYSA-N
MW117.15 g/mol
LogP0.46
Rot. Bonds3

About N-ethoxypropanamide

N-ethoxypropanamide (PubChem CID 15026070) has the molecular formula C5H11NO2 and a molecular weight of 117.15 g/mol. Its IUPAC name is N-ethoxypropanamide.

Molecular Properties

Compound NameN-ethoxypropanamide
PubChem CID15026070
Molecular FormulaC5H11NO2
Molecular Weight117.15 g/mol
Exact Mass117.08
IUPAC NameN-ethoxypropanamide
SMILESCCONC(=O)CC
InChIInChI=1S/C5H11NO2/c1-3-5(7)6-8-4-2/h3-4H2,1-2H3,(H,6,7)
InChIKeyYYBJGWLBLTTZLN-UHFFFAOYSA-N
XLogP0.46
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.15
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-ethoxypropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-ethoxypropanamide?
The IUPAC name of N-ethoxypropanamide (CID 15026070) is N-ethoxypropanamide.
What is the SMILES notation for N-ethoxypropanamide?
The canonical SMILES for N-ethoxypropanamide is CCONC(=O)CC.
What is the InChIKey of N-ethoxypropanamide?
The InChIKey is YYBJGWLBLTTZLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO2/c1-3-5(7)6-8-4-2/h3-4H2,1-2H3,(H,6,7).
What are the key properties of N-ethoxypropanamide?
N-ethoxypropanamide has a molecular weight of 117.15 g/mol, XLogP of 0.46, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethoxypropanamide is sourced from PubChem (CID 15026070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).