N-(1-ethoxyethyl)propanamide

C7H15NO2 — CID 22116801

IUPACN-(1-ethoxyethyl)propanamide
SMILESCCOC(C)NC(=O)CC
InChIInChI=1S/C7H15NO2/c1-4-7(9)8-6(3)10-5-2/h6H,4-5H2,1-3H3,(H,8,9)
InChIKeyJOOACNVUVAKBOQ-UHFFFAOYSA-N
MW145.20 g/mol
LogP0.90
Rot. Bonds4

About N-(1-ethoxyethyl)propanamide

N-(1-ethoxyethyl)propanamide (PubChem CID 22116801) has the molecular formula C7H15NO2 and a molecular weight of 145.20 g/mol. Its IUPAC name is N-(1-ethoxyethyl)propanamide.

Molecular Properties

Compound NameN-(1-ethoxyethyl)propanamide
PubChem CID22116801
Molecular FormulaC7H15NO2
Molecular Weight145.20 g/mol
Exact Mass145.11
IUPAC NameN-(1-ethoxyethyl)propanamide
SMILESCCOC(C)NC(=O)CC
InChIInChI=1S/C7H15NO2/c1-4-7(9)8-6(3)10-5-2/h6H,4-5H2,1-3H3,(H,8,9)
InChIKeyJOOACNVUVAKBOQ-UHFFFAOYSA-N
XLogP0.90
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.20
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze N-(1-ethoxyethyl)propanamide 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-(1-ethoxyethyl)propanamide?
The IUPAC name of N-(1-ethoxyethyl)propanamide (CID 22116801) is N-(1-ethoxyethyl)propanamide.
What is the SMILES notation for N-(1-ethoxyethyl)propanamide?
The canonical SMILES for N-(1-ethoxyethyl)propanamide is CCOC(C)NC(=O)CC.
What is the InChIKey of N-(1-ethoxyethyl)propanamide?
The InChIKey is JOOACNVUVAKBOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2/c1-4-7(9)8-6(3)10-5-2/h6H,4-5H2,1-3H3,(H,8,9).
What are the key properties of N-(1-ethoxyethyl)propanamide?
N-(1-ethoxyethyl)propanamide has a molecular weight of 145.20 g/mol, XLogP of 0.90, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethoxyethyl)propanamide is sourced from PubChem (CID 22116801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).