2-(azetidin-3-ylidene)-N-(2-hydroxy-5-methoxyphenyl)propanamide

C13H16N2O3 — CID 102695737

IUPAC2-(azetidin-3-ylidene)-N-(2-hydroxy-5-methoxyphenyl)propanamide
SMILESCOc1ccc(O)c(NC(=O)C(C)=C2CNC2)c1
InChIInChI=1S/C13H16N2O3/c1-8(9-6-14-7-9)13(17)15-11-5-10(18-2)3-4-12(11)16/h3-5,14,16H,6-7H2,1-2H3,(H,15,17)
InChIKeyOLBMURVSEILLJQ-UHFFFAOYSA-N
MW248.28 g/mol
LogP1.26
Rot. Bonds3

About 2-(azetidin-3-ylidene)-N-(2-hydroxy-5-methoxyphenyl)propanamide

2-(azetidin-3-ylidene)-N-(2-hydroxy-5-methoxyphenyl)propanamide (PubChem CID 102695737) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is 2-(azetidin-3-ylidene)-N-(2-hydroxy-5-methoxyphenyl)propanamide.

Molecular Properties

Compound Name2-(azetidin-3-ylidene)-N-(2-hydroxy-5-methoxyphenyl)propanamide
PubChem CID102695737
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC Name2-(azetidin-3-ylidene)-N-(2-hydroxy-5-methoxyphenyl)propanamide
SMILESCOc1ccc(O)c(NC(=O)C(C)=C2CNC2)c1
InChIInChI=1S/C13H16N2O3/c1-8(9-6-14-7-9)13(17)15-11-5-10(18-2)3-4-12(11)16/h3-5,14,16H,6-7H2,1-2H3,(H,15,17)
InChIKeyOLBMURVSEILLJQ-UHFFFAOYSA-N
XLogP1.26
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 51.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}, {'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-hydroxy-5-methoxyphenyl)propanamide?
The IUPAC name of 2-(azetidin-3-ylidene)-N-(2-hydroxy-5-methoxyphenyl)propanamide (CID 102695737) is 2-(azetidin-3-ylidene)-N-(2-hydroxy-5-methoxyphenyl)propanamide.
What is the SMILES notation for 2-(azetidin-3-ylidene)-N-(2-hydroxy-5-methoxyphenyl)propanamide?
The canonical SMILES for 2-(azetidin-3-ylidene)-N-(2-hydroxy-5-methoxyphenyl)propanamide is COc1ccc(O)c(NC(=O)C(C)=C2CNC2)c1.
What is the InChIKey of 2-(azetidin-3-ylidene)-N-(2-hydroxy-5-methoxyphenyl)propanamide?
The InChIKey is OLBMURVSEILLJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3/c1-8(9-6-14-7-9)13(17)15-11-5-10(18-2)3-4-12(11)16/h3-5,14,16H,6-7H2,1-2H3,(H,15,17).
What are the key properties of 2-(azetidin-3-ylidene)-N-(2-hydroxy-5-methoxyphenyl)propanamide?
2-(azetidin-3-ylidene)-N-(2-hydroxy-5-methoxyphenyl)propanamide has a molecular weight of 248.28 g/mol, XLogP of 1.26, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-ylidene)-N-(2-hydroxy-5-methoxyphenyl)propanamide is sourced from PubChem (CID 102695737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).