2-(azetidin-3-ylidene)-N-(2-hydroxy-3-methoxypropyl)-N-methylpropanamide

C11H20N2O3 — CID 116677469

IUPAC2-(azetidin-3-ylidene)-N-(2-hydroxy-3-methoxypropyl)-N-methylpropanamide
SMILESCOCC(O)CN(C)C(=O)C(C)=C1CNC1
InChIInChI=1S/C11H20N2O3/c1-8(9-4-12-5-9)11(15)13(2)6-10(14)7-16-3/h10,12,14H,4-7H2,1-3H3
InChIKeyFCDGQYCQTHCRIG-UHFFFAOYSA-N
MW228.29 g/mol
LogP-0.63
Rot. Bonds5

About 2-(azetidin-3-ylidene)-N-(2-hydroxy-3-methoxypropyl)-N-methylpropanamide

2-(azetidin-3-ylidene)-N-(2-hydroxy-3-methoxypropyl)-N-methylpropanamide (PubChem CID 116677469) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is 2-(azetidin-3-ylidene)-N-(2-hydroxy-3-methoxypropyl)-N-methylpropanamide.

Molecular Properties

Compound Name2-(azetidin-3-ylidene)-N-(2-hydroxy-3-methoxypropyl)-N-methylpropanamide
PubChem CID116677469
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Name2-(azetidin-3-ylidene)-N-(2-hydroxy-3-methoxypropyl)-N-methylpropanamide
SMILESCOCC(O)CN(C)C(=O)C(C)=C1CNC1
InChIInChI=1S/C11H20N2O3/c1-8(9-4-12-5-9)11(15)13(2)6-10(14)7-16-3/h10,12,14H,4-7H2,1-3H3
InChIKeyFCDGQYCQTHCRIG-UHFFFAOYSA-N
XLogP-0.63
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 5-0.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-hydroxy-3-methoxypropyl)-N-methylpropanamide?
The IUPAC name of 2-(azetidin-3-ylidene)-N-(2-hydroxy-3-methoxypropyl)-N-methylpropanamide (CID 116677469) is 2-(azetidin-3-ylidene)-N-(2-hydroxy-3-methoxypropyl)-N-methylpropanamide.
What is the SMILES notation for 2-(azetidin-3-ylidene)-N-(2-hydroxy-3-methoxypropyl)-N-methylpropanamide?
The canonical SMILES for 2-(azetidin-3-ylidene)-N-(2-hydroxy-3-methoxypropyl)-N-methylpropanamide is COCC(O)CN(C)C(=O)C(C)=C1CNC1.
What is the InChIKey of 2-(azetidin-3-ylidene)-N-(2-hydroxy-3-methoxypropyl)-N-methylpropanamide?
The InChIKey is FCDGQYCQTHCRIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-8(9-4-12-5-9)11(15)13(2)6-10(14)7-16-3/h10,12,14H,4-7H2,1-3H3.
What are the key properties of 2-(azetidin-3-ylidene)-N-(2-hydroxy-3-methoxypropyl)-N-methylpropanamide?
2-(azetidin-3-ylidene)-N-(2-hydroxy-3-methoxypropyl)-N-methylpropanamide has a molecular weight of 228.29 g/mol, XLogP of -0.63, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-ylidene)-N-(2-hydroxy-3-methoxypropyl)-N-methylpropanamide is sourced from PubChem (CID 116677469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).