N-ethanimidoylpropanamide

C5H10N2O — CID 154041938

IUPACN-ethanimidoylpropanamide
SMILES[H]/N=C(\C)NC(=O)CC
InChIInChI=1S/C5H10N2O/c1-3-5(8)7-4(2)6/h3H2,1-2H3,(H2,6,7,8)
InChIKeyJWGGPHXDBIFJES-UHFFFAOYSA-N
MW114.15 g/mol
LogP0.51
Rot. Bonds1

About N-ethanimidoylpropanamide

N-ethanimidoylpropanamide (PubChem CID 154041938) has the molecular formula C5H10N2O and a molecular weight of 114.15 g/mol. Its IUPAC name is N-ethanimidoylpropanamide.

Molecular Properties

Compound NameN-ethanimidoylpropanamide
PubChem CID154041938
Molecular FormulaC5H10N2O
Molecular Weight114.15 g/mol
Exact Mass114.08
IUPAC NameN-ethanimidoylpropanamide
SMILES[H]/N=C(\C)NC(=O)CC
InChIInChI=1S/C5H10N2O/c1-3-5(8)7-4(2)6/h3H2,1-2H3,(H2,6,7,8)
InChIKeyJWGGPHXDBIFJES-UHFFFAOYSA-N
XLogP0.51
TPSA52.95 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.15
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze N-ethanimidoylpropanamide 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

3,6-Dimethyl-1,2,4-triazin-5-ol
CID 135789691
N-(2-fluoropropanimidoyl)acetamide
CID 173645007
N-(2-fluorobutanimidoyl)acetamide
CID 173645008
N-(C,N-dimethylcarbonimidoyl)propanamide
CID 89227228
N-(C-ethyl-N-methylcarbonimidoyl)acetamide
CID 118527281
N-(C,N-dimethylcarbonimidoyl)-2-methylpropanamide
CID 134354446
N-(2,2-dimethylpropanimidoyl)acetamide
CID 140440767
N-(2-methylpropanimidoyl)acetamide
CID 142079476
N-butanimidoylacetamide
CID 145288423
N-[(E)-N-methoxy-C-methylcarbonimidoyl]propanamide
CID 146416706
2,2-dimethyl-N-(2-methylpropanimidoyl)propanamide
CID 147835006
N-ethanimidoylacetamide
CID 149150437

Frequently Asked Questions

What is the IUPAC name of N-ethanimidoylpropanamide?
The IUPAC name of N-ethanimidoylpropanamide (CID 154041938) is N-ethanimidoylpropanamide.
What is the SMILES notation for N-ethanimidoylpropanamide?
The canonical SMILES for N-ethanimidoylpropanamide is [H]/N=C(\C)NC(=O)CC.
What is the InChIKey of N-ethanimidoylpropanamide?
The InChIKey is JWGGPHXDBIFJES-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2O/c1-3-5(8)7-4(2)6/h3H2,1-2H3,(H2,6,7,8).
What are the key properties of N-ethanimidoylpropanamide?
N-ethanimidoylpropanamide has a molecular weight of 114.15 g/mol, XLogP of 0.51, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethanimidoylpropanamide is sourced from PubChem (CID 154041938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).