2-(azetidin-3-yl)-N-(1,3-benzodioxol-5-ylmethyl)propanamide

C14H18N2O3 — CID 116677298

IUPAC2-(azetidin-3-yl)-N-(1,3-benzodioxol-5-ylmethyl)propanamide
SMILESCC(C(=O)NCc1ccc2c(c1)OCO2)C1CNC1
InChIInChI=1S/C14H18N2O3/c1-9(11-6-15-7-11)14(17)16-5-10-2-3-12-13(4-10)19-8-18-12/h2-4,9,11,15H,5-8H2,1H3,(H,16,17)
InChIKeyOOWJCJJGFBOATB-UHFFFAOYSA-N
MW262.31 g/mol
LogP0.89
Rot. Bonds4

About 2-(azetidin-3-yl)-N-(1,3-benzodioxol-5-ylmethyl)propanamide

2-(azetidin-3-yl)-N-(1,3-benzodioxol-5-ylmethyl)propanamide (PubChem CID 116677298) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 2-(azetidin-3-yl)-N-(1,3-benzodioxol-5-ylmethyl)propanamide.

Molecular Properties

Compound Name2-(azetidin-3-yl)-N-(1,3-benzodioxol-5-ylmethyl)propanamide
PubChem CID116677298
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name2-(azetidin-3-yl)-N-(1,3-benzodioxol-5-ylmethyl)propanamide
SMILESCC(C(=O)NCc1ccc2c(c1)OCO2)C1CNC1
InChIInChI=1S/C14H18N2O3/c1-9(11-6-15-7-11)14(17)16-5-10-2-3-12-13(4-10)19-8-18-12/h2-4,9,11,15H,5-8H2,1H3,(H,16,17)
InChIKeyOOWJCJJGFBOATB-UHFFFAOYSA-N
XLogP0.89
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-amino-N-(1,3-benzodioxol-5-ylmethyl)propanamide
CID 78973204
(2S)-N-(1,3-benzodioxol-5-ylmethyl)-2-chloropropanamide
CID 2435381
N-(1,3-benzodioxol-5-ylmethyl)-2-methyl-3-(methylamino)propanamide
CID 79202322
(2S)-N-(1,3-benzodioxol-5-ylmethyl)-2-[4-[(2S)-1-(1,3-benzodioxol-5-ylmethylamino)-1-oxopropan-2-yl]piperazin-1-yl]propanamide
CID 30958888
N-(1,3-benzodioxol-5-ylmethyl)-2-(carbamoylamino)-3-methylbutanamide
CID 4783480
(2S)-N-(1,3-benzodioxol-5-ylmethyl)-2-(carbamoylamino)-3-methylbutanamide
CID 7872524
(2R)-N-(1,3-benzodioxol-5-ylmethyl)-2-[1-(1H-indole-2-carbonyl)piperidin-4-yl]propanamide
CID 92879859
2-acetamido-N-(1,3-benzodioxol-5-ylmethyl)-2-cyclopentylacetamide
CID 51271886
[1-(1,3-benzodioxol-5-ylmethylamino)-1-oxopropan-2-yl] 2-(4-chlorophenyl)acetate
CID 3613067
(2S)-N-(1,3-benzodioxol-5-ylmethyl)-2-[1-(5-chlorothiophen-2-yl)sulfonylpiperidin-4-yl]propanamide
CID 95088834
[(2S)-1-(1,3-benzodioxol-5-ylmethylamino)-1-oxopropan-2-yl] butanoate
CID 7796706
(2S)-N-(1,3-benzodioxol-5-ylmethyl)-2-(2,3,4,5,6-pentafluorophenyl)sulfanylpropanamide
CID 7467349

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-yl)-N-(1,3-benzodioxol-5-ylmethyl)propanamide?
The IUPAC name of 2-(azetidin-3-yl)-N-(1,3-benzodioxol-5-ylmethyl)propanamide (CID 116677298) is 2-(azetidin-3-yl)-N-(1,3-benzodioxol-5-ylmethyl)propanamide.
What is the SMILES notation for 2-(azetidin-3-yl)-N-(1,3-benzodioxol-5-ylmethyl)propanamide?
The canonical SMILES for 2-(azetidin-3-yl)-N-(1,3-benzodioxol-5-ylmethyl)propanamide is CC(C(=O)NCc1ccc2c(c1)OCO2)C1CNC1.
What is the InChIKey of 2-(azetidin-3-yl)-N-(1,3-benzodioxol-5-ylmethyl)propanamide?
The InChIKey is OOWJCJJGFBOATB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-9(11-6-15-7-11)14(17)16-5-10-2-3-12-13(4-10)19-8-18-12/h2-4,9,11,15H,5-8H2,1H3,(H,16,17).
What are the key properties of 2-(azetidin-3-yl)-N-(1,3-benzodioxol-5-ylmethyl)propanamide?
2-(azetidin-3-yl)-N-(1,3-benzodioxol-5-ylmethyl)propanamide has a molecular weight of 262.31 g/mol, XLogP of 0.89, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-yl)-N-(1,3-benzodioxol-5-ylmethyl)propanamide is sourced from PubChem (CID 116677298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).