3-amino-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,2-dimethylpropanamide;hydrochloride

C13H19ClN2O3 — CID 119669219

IUPAC3-amino-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,2-dimethylpropanamide;hydrochloride
SMILESCC(C)(CN)C(=O)Nc1ccc2c(c1)OCCO2.Cl
InChIInChI=1S/C13H18N2O3.ClH/c1-13(2,8-14)12(16)15-9-3-4-10-11(7-9)18-6-5-17-10;/h3-4,7H,5-6,8,14H2,1-2H3,(H,15,16);1H
InChIKeyURZVDVZVOVRDMY-UHFFFAOYSA-N
MW286.76 g/mol
LogP1.80
Rot. Bonds3

About 3-amino-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,2-dimethylpropanamide;hydrochloride

3-amino-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,2-dimethylpropanamide;hydrochloride (PubChem CID 119669219) has the molecular formula C13H19ClN2O3 and a molecular weight of 286.76 g/mol. Its IUPAC name is 3-amino-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,2-dimethylpropanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,2-dimethylpropanamide;hydrochloride
PubChem CID119669219
Molecular FormulaC13H19ClN2O3
Molecular Weight286.76 g/mol
Exact Mass286.11
IUPAC Name3-amino-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,2-dimethylpropanamide;hydrochloride
SMILESCC(C)(CN)C(=O)Nc1ccc2c(c1)OCCO2.Cl
InChIInChI=1S/C13H18N2O3.ClH/c1-13(2,8-14)12(16)15-9-3-4-10-11(7-9)18-6-5-17-10;/h3-4,7H,5-6,8,14H2,1-2H3,(H,15,16);1H
InChIKeyURZVDVZVOVRDMY-UHFFFAOYSA-N
XLogP1.80
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.76
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2,2-dimethylpropanamide;hydrochloride
CID 119693687
N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N,N-diethyl-2,2-dimethylpropanediamide
CID 108965769
3-amino-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-hydroxyimino-2,2-dimethylpropanamide
CID 76919747
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N'-[4-(dimethylamino)phenyl]-2,2-dimethylpropanediamide
CID 108969885
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,2-dimethyl-N'-(2-methylpropyl)propanediamide
CID 108958122
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CID 62834660
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,2,3,3-tetrafluoropropanamide
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N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxopropanamide
CID 82127722
(2S)-2-amino-N-(2,3-dihydro-1,4-benzodioxin-6-yl)butanamide;hydrochloride
CID 119261511
9-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononanamide
CID 4611862
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-oxobutanamide
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N'-(3,5-dichlorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanediamide
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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,2-dimethylpropanamide;hydrochloride?
The IUPAC name of 3-amino-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,2-dimethylpropanamide;hydrochloride (CID 119669219) is 3-amino-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,2-dimethylpropanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,2-dimethylpropanamide;hydrochloride?
The canonical SMILES for 3-amino-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,2-dimethylpropanamide;hydrochloride is CC(C)(CN)C(=O)Nc1ccc2c(c1)OCCO2.Cl.
What is the InChIKey of 3-amino-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,2-dimethylpropanamide;hydrochloride?
The InChIKey is URZVDVZVOVRDMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3.ClH/c1-13(2,8-14)12(16)15-9-3-4-10-11(7-9)18-6-5-17-10;/h3-4,7H,5-6,8,14H2,1-2H3,(H,15,16);1H.
What are the key properties of 3-amino-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,2-dimethylpropanamide;hydrochloride?
3-amino-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,2-dimethylpropanamide;hydrochloride has a molecular weight of 286.76 g/mol, XLogP of 1.80, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,2-dimethylpropanamide;hydrochloride is sourced from PubChem (CID 119669219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).