2-cyclobutylidene-N-[3-(2-hydroxyethoxy)propyl]acetamide

C11H19NO3 — CID 110022207

IUPAC2-cyclobutylidene-N-[3-(2-hydroxyethoxy)propyl]acetamide
SMILESO=C(C=C1CCC1)NCCCOCCO
InChIInChI=1S/C11H19NO3/c13-6-8-15-7-2-5-12-11(14)9-10-3-1-4-10/h9,13H,1-8H2,(H,12,14)
InChIKeyHHMHMDRXUBKPTA-UHFFFAOYSA-N
MW213.28 g/mol
LogP0.61
Rot. Bonds7

About 2-cyclobutylidene-N-[3-(2-hydroxyethoxy)propyl]acetamide

2-cyclobutylidene-N-[3-(2-hydroxyethoxy)propyl]acetamide (PubChem CID 110022207) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 2-cyclobutylidene-N-[3-(2-hydroxyethoxy)propyl]acetamide.

Molecular Properties

Compound Name2-cyclobutylidene-N-[3-(2-hydroxyethoxy)propyl]acetamide
PubChem CID110022207
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Name2-cyclobutylidene-N-[3-(2-hydroxyethoxy)propyl]acetamide
SMILESO=C(C=C1CCC1)NCCCOCCO
InChIInChI=1S/C11H19NO3/c13-6-8-15-7-2-5-12-11(14)9-10-3-1-4-10/h9,13H,1-8H2,(H,12,14)
InChIKeyHHMHMDRXUBKPTA-UHFFFAOYSA-N
XLogP0.61
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-cyclobutylidene-N-[3-(2-hydroxyethoxy)propyl]acetamide 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-cyclobutylidene-N-[3-(2-hydroxyethoxy)propyl]acetamide?
The IUPAC name of 2-cyclobutylidene-N-[3-(2-hydroxyethoxy)propyl]acetamide (CID 110022207) is 2-cyclobutylidene-N-[3-(2-hydroxyethoxy)propyl]acetamide.
What is the SMILES notation for 2-cyclobutylidene-N-[3-(2-hydroxyethoxy)propyl]acetamide?
The canonical SMILES for 2-cyclobutylidene-N-[3-(2-hydroxyethoxy)propyl]acetamide is O=C(C=C1CCC1)NCCCOCCO.
What is the InChIKey of 2-cyclobutylidene-N-[3-(2-hydroxyethoxy)propyl]acetamide?
The InChIKey is HHMHMDRXUBKPTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c13-6-8-15-7-2-5-12-11(14)9-10-3-1-4-10/h9,13H,1-8H2,(H,12,14).
What are the key properties of 2-cyclobutylidene-N-[3-(2-hydroxyethoxy)propyl]acetamide?
2-cyclobutylidene-N-[3-(2-hydroxyethoxy)propyl]acetamide has a molecular weight of 213.28 g/mol, XLogP of 0.61, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutylidene-N-[3-(2-hydroxyethoxy)propyl]acetamide is sourced from PubChem (CID 110022207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).