2-(azetidin-3-ylidene)-N-(3-hydroxypropyl)-N-propan-2-ylpropanamide

C12H22N2O2 — CID 116676847

IUPAC2-(azetidin-3-ylidene)-N-(3-hydroxypropyl)-N-propan-2-ylpropanamide
SMILESCC(C(=O)N(CCCO)C(C)C)=C1CNC1
InChIInChI=1S/C12H22N2O2/c1-9(2)14(5-4-6-15)12(16)10(3)11-7-13-8-11/h9,13,15H,4-8H2,1-3H3
InChIKeyIMHOZMVENRXYQI-UHFFFAOYSA-N
MW226.32 g/mol
LogP0.53
Rot. Bonds5

About 2-(azetidin-3-ylidene)-N-(3-hydroxypropyl)-N-propan-2-ylpropanamide

2-(azetidin-3-ylidene)-N-(3-hydroxypropyl)-N-propan-2-ylpropanamide (PubChem CID 116676847) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 2-(azetidin-3-ylidene)-N-(3-hydroxypropyl)-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name2-(azetidin-3-ylidene)-N-(3-hydroxypropyl)-N-propan-2-ylpropanamide
PubChem CID116676847
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name2-(azetidin-3-ylidene)-N-(3-hydroxypropyl)-N-propan-2-ylpropanamide
SMILESCC(C(=O)N(CCCO)C(C)C)=C1CNC1
InChIInChI=1S/C12H22N2O2/c1-9(2)14(5-4-6-15)12(16)10(3)11-7-13-8-11/h9,13,15H,4-8H2,1-3H3
InChIKeyIMHOZMVENRXYQI-UHFFFAOYSA-N
XLogP0.53
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 50.53
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-(3-hydroxypropyl)-N-propan-2-ylpropanamide?
The IUPAC name of 2-(azetidin-3-ylidene)-N-(3-hydroxypropyl)-N-propan-2-ylpropanamide (CID 116676847) is 2-(azetidin-3-ylidene)-N-(3-hydroxypropyl)-N-propan-2-ylpropanamide.
What is the SMILES notation for 2-(azetidin-3-ylidene)-N-(3-hydroxypropyl)-N-propan-2-ylpropanamide?
The canonical SMILES for 2-(azetidin-3-ylidene)-N-(3-hydroxypropyl)-N-propan-2-ylpropanamide is CC(C(=O)N(CCCO)C(C)C)=C1CNC1.
What is the InChIKey of 2-(azetidin-3-ylidene)-N-(3-hydroxypropyl)-N-propan-2-ylpropanamide?
The InChIKey is IMHOZMVENRXYQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-9(2)14(5-4-6-15)12(16)10(3)11-7-13-8-11/h9,13,15H,4-8H2,1-3H3.
What are the key properties of 2-(azetidin-3-ylidene)-N-(3-hydroxypropyl)-N-propan-2-ylpropanamide?
2-(azetidin-3-ylidene)-N-(3-hydroxypropyl)-N-propan-2-ylpropanamide has a molecular weight of 226.32 g/mol, XLogP of 0.53, 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-(3-hydroxypropyl)-N-propan-2-ylpropanamide is sourced from PubChem (CID 116676847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).