2-(azetidin-3-ylidene)-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]propanamide

C12H23N3O2 — CID 106148420

IUPAC2-(azetidin-3-ylidene)-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]propanamide
SMILESCC(C(=O)NCC(C)(O)CN(C)C)=C1CNC1
InChIInChI=1S/C12H23N3O2/c1-9(10-5-13-6-10)11(16)14-7-12(2,17)8-15(3)4/h13,17H,5-8H2,1-4H3,(H,14,16)
InChIKeyVWWFDXYNVXOLEL-UHFFFAOYSA-N
MW241.33 g/mol
LogP-0.67
Rot. Bonds5

About 2-(azetidin-3-ylidene)-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]propanamide

2-(azetidin-3-ylidene)-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]propanamide (PubChem CID 106148420) has the molecular formula C12H23N3O2 and a molecular weight of 241.33 g/mol. Its IUPAC name is 2-(azetidin-3-ylidene)-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]propanamide.

Molecular Properties

Compound Name2-(azetidin-3-ylidene)-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]propanamide
PubChem CID106148420
Molecular FormulaC12H23N3O2
Molecular Weight241.33 g/mol
Exact Mass241.18
IUPAC Name2-(azetidin-3-ylidene)-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]propanamide
SMILESCC(C(=O)NCC(C)(O)CN(C)C)=C1CNC1
InChIInChI=1S/C12H23N3O2/c1-9(10-5-13-6-10)11(16)14-7-12(2,17)8-15(3)4/h13,17H,5-8H2,1-4H3,(H,14,16)
InChIKeyVWWFDXYNVXOLEL-UHFFFAOYSA-N
XLogP-0.67
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 5-0.67
H-Bond Donors ≤ 53
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-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]propanamide?
The IUPAC name of 2-(azetidin-3-ylidene)-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]propanamide (CID 106148420) is 2-(azetidin-3-ylidene)-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]propanamide.
What is the SMILES notation for 2-(azetidin-3-ylidene)-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]propanamide?
The canonical SMILES for 2-(azetidin-3-ylidene)-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]propanamide is CC(C(=O)NCC(C)(O)CN(C)C)=C1CNC1.
What is the InChIKey of 2-(azetidin-3-ylidene)-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]propanamide?
The InChIKey is VWWFDXYNVXOLEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2/c1-9(10-5-13-6-10)11(16)14-7-12(2,17)8-15(3)4/h13,17H,5-8H2,1-4H3,(H,14,16).
What are the key properties of 2-(azetidin-3-ylidene)-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]propanamide?
2-(azetidin-3-ylidene)-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]propanamide has a molecular weight of 241.33 g/mol, XLogP of -0.67, 5 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-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]propanamide is sourced from PubChem (CID 106148420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).