2-(azetidin-3-ylidene)-N-[2-(ethoxymethyl)phenyl]propanamide

C15H20N2O2 — CID 116675034

IUPAC2-(azetidin-3-ylidene)-N-[2-(ethoxymethyl)phenyl]propanamide
SMILESCCOCc1ccccc1NC(=O)C(C)=C1CNC1
InChIInChI=1S/C15H20N2O2/c1-3-19-10-12-6-4-5-7-14(12)17-15(18)11(2)13-8-16-9-13/h4-7,16H,3,8-10H2,1-2H3,(H,17,18)
InChIKeyHQUSSDYLJOMOCB-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.08
Rot. Bonds5

About 2-(azetidin-3-ylidene)-N-[2-(ethoxymethyl)phenyl]propanamide

2-(azetidin-3-ylidene)-N-[2-(ethoxymethyl)phenyl]propanamide (PubChem CID 116675034) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 2-(azetidin-3-ylidene)-N-[2-(ethoxymethyl)phenyl]propanamide.

Molecular Properties

Compound Name2-(azetidin-3-ylidene)-N-[2-(ethoxymethyl)phenyl]propanamide
PubChem CID116675034
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name2-(azetidin-3-ylidene)-N-[2-(ethoxymethyl)phenyl]propanamide
SMILESCCOCc1ccccc1NC(=O)C(C)=C1CNC1
InChIInChI=1S/C15H20N2O2/c1-3-19-10-12-6-4-5-7-14(12)17-15(18)11(2)13-8-16-9-13/h4-7,16H,3,8-10H2,1-2H3,(H,17,18)
InChIKeyHQUSSDYLJOMOCB-UHFFFAOYSA-N
XLogP2.08
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-ylidene)-N-[2-(ethoxymethyl)phenyl]propanamide?
The IUPAC name of 2-(azetidin-3-ylidene)-N-[2-(ethoxymethyl)phenyl]propanamide (CID 116675034) is 2-(azetidin-3-ylidene)-N-[2-(ethoxymethyl)phenyl]propanamide.
What is the SMILES notation for 2-(azetidin-3-ylidene)-N-[2-(ethoxymethyl)phenyl]propanamide?
The canonical SMILES for 2-(azetidin-3-ylidene)-N-[2-(ethoxymethyl)phenyl]propanamide is CCOCc1ccccc1NC(=O)C(C)=C1CNC1.
What is the InChIKey of 2-(azetidin-3-ylidene)-N-[2-(ethoxymethyl)phenyl]propanamide?
The InChIKey is HQUSSDYLJOMOCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-3-19-10-12-6-4-5-7-14(12)17-15(18)11(2)13-8-16-9-13/h4-7,16H,3,8-10H2,1-2H3,(H,17,18).
What are the key properties of 2-(azetidin-3-ylidene)-N-[2-(ethoxymethyl)phenyl]propanamide?
2-(azetidin-3-ylidene)-N-[2-(ethoxymethyl)phenyl]propanamide has a molecular weight of 260.34 g/mol, XLogP of 2.08, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-ylidene)-N-[2-(ethoxymethyl)phenyl]propanamide is sourced from PubChem (CID 116675034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).