2-(azetidin-3-ylidene)-N-octan-4-ylpropanamide

C14H26N2O — CID 114138362

IUPAC2-(azetidin-3-ylidene)-N-octan-4-ylpropanamide
SMILESCCCCC(CCC)NC(=O)C(C)=C1CNC1
InChIInChI=1S/C14H26N2O/c1-4-6-8-13(7-5-2)16-14(17)11(3)12-9-15-10-12/h13,15H,4-10H2,1-3H3,(H,16,17)
InChIKeyUQMSAZVQWUXDFO-UHFFFAOYSA-N
MW238.37 g/mol
LogP2.38
Rot. Bonds7

About 2-(azetidin-3-ylidene)-N-octan-4-ylpropanamide

2-(azetidin-3-ylidene)-N-octan-4-ylpropanamide (PubChem CID 114138362) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is 2-(azetidin-3-ylidene)-N-octan-4-ylpropanamide.

Molecular Properties

Compound Name2-(azetidin-3-ylidene)-N-octan-4-ylpropanamide
PubChem CID114138362
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC Name2-(azetidin-3-ylidene)-N-octan-4-ylpropanamide
SMILESCCCCC(CCC)NC(=O)C(C)=C1CNC1
InChIInChI=1S/C14H26N2O/c1-4-6-8-13(7-5-2)16-14(17)11(3)12-9-15-10-12/h13,15H,4-10H2,1-3H3,(H,16,17)
InChIKeyUQMSAZVQWUXDFO-UHFFFAOYSA-N
XLogP2.38
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-octan-4-ylpropanamide?
The IUPAC name of 2-(azetidin-3-ylidene)-N-octan-4-ylpropanamide (CID 114138362) is 2-(azetidin-3-ylidene)-N-octan-4-ylpropanamide.
What is the SMILES notation for 2-(azetidin-3-ylidene)-N-octan-4-ylpropanamide?
The canonical SMILES for 2-(azetidin-3-ylidene)-N-octan-4-ylpropanamide is CCCCC(CCC)NC(=O)C(C)=C1CNC1.
What is the InChIKey of 2-(azetidin-3-ylidene)-N-octan-4-ylpropanamide?
The InChIKey is UQMSAZVQWUXDFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O/c1-4-6-8-13(7-5-2)16-14(17)11(3)12-9-15-10-12/h13,15H,4-10H2,1-3H3,(H,16,17).
What are the key properties of 2-(azetidin-3-ylidene)-N-octan-4-ylpropanamide?
2-(azetidin-3-ylidene)-N-octan-4-ylpropanamide has a molecular weight of 238.37 g/mol, XLogP of 2.38, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-ylidene)-N-octan-4-ylpropanamide is sourced from PubChem (CID 114138362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).