2-ethyl-N-(2-hydroxypropyl)but-2-enamide

C9H17NO2 — CID 54085350

IUPAC2-ethyl-N-(2-hydroxypropyl)but-2-enamide
SMILESCC=C(CC)C(=O)NCC(C)O
InChIInChI=1S/C9H17NO2/c1-4-8(5-2)9(12)10-6-7(3)11/h4,7,11H,5-6H2,1-3H3,(H,10,12)
InChIKeyMQBHWRMSGWEOJY-UHFFFAOYSA-N
MW171.24 g/mol
LogP0.84
Rot. Bonds4

About 2-ethyl-N-(2-hydroxypropyl)but-2-enamide

2-ethyl-N-(2-hydroxypropyl)but-2-enamide (PubChem CID 54085350) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is 2-ethyl-N-(2-hydroxypropyl)but-2-enamide.

Molecular Properties

Compound Name2-ethyl-N-(2-hydroxypropyl)but-2-enamide
PubChem CID54085350
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name2-ethyl-N-(2-hydroxypropyl)but-2-enamide
SMILESCC=C(CC)C(=O)NCC(C)O
InChIInChI=1S/C9H17NO2/c1-4-8(5-2)9(12)10-6-7(3)11/h4,7,11H,5-6H2,1-3H3,(H,10,12)
InChIKeyMQBHWRMSGWEOJY-UHFFFAOYSA-N
XLogP0.84
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 2-ethyl-N-(2-hydroxypropyl)but-2-enamide 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 2-ethyl-N-(2-hydroxypropyl)but-2-enamide?
The IUPAC name of 2-ethyl-N-(2-hydroxypropyl)but-2-enamide (CID 54085350) is 2-ethyl-N-(2-hydroxypropyl)but-2-enamide.
What is the SMILES notation for 2-ethyl-N-(2-hydroxypropyl)but-2-enamide?
The canonical SMILES for 2-ethyl-N-(2-hydroxypropyl)but-2-enamide is CC=C(CC)C(=O)NCC(C)O.
What is the InChIKey of 2-ethyl-N-(2-hydroxypropyl)but-2-enamide?
The InChIKey is MQBHWRMSGWEOJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-4-8(5-2)9(12)10-6-7(3)11/h4,7,11H,5-6H2,1-3H3,(H,10,12).
What are the key properties of 2-ethyl-N-(2-hydroxypropyl)but-2-enamide?
2-ethyl-N-(2-hydroxypropyl)but-2-enamide has a molecular weight of 171.24 g/mol, XLogP of 0.84, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-(2-hydroxypropyl)but-2-enamide is sourced from PubChem (CID 54085350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).