2-amino-N-(2,2-dimethyl-1,3-benzodioxol-5-yl)propanamide

C12H16N2O3 — CID 43700348

IUPAC2-amino-N-(2,2-dimethyl-1,3-benzodioxol-5-yl)propanamide
SMILESCC(N)C(=O)Nc1ccc2c(c1)OC(C)(C)O2
InChIInChI=1S/C12H16N2O3/c1-7(13)11(15)14-8-4-5-9-10(6-8)17-12(2,3)16-9/h4-7H,13H2,1-3H3,(H,14,15)
InChIKeyYHJUFRXTGQJBPL-UHFFFAOYSA-N
MW236.27 g/mol
LogP1.48
Rot. Bonds2

About 2-amino-N-(2,2-dimethyl-1,3-benzodioxol-5-yl)propanamide

2-amino-N-(2,2-dimethyl-1,3-benzodioxol-5-yl)propanamide (PubChem CID 43700348) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is 2-amino-N-(2,2-dimethyl-1,3-benzodioxol-5-yl)propanamide.

Molecular Properties

Compound Name2-amino-N-(2,2-dimethyl-1,3-benzodioxol-5-yl)propanamide
PubChem CID43700348
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Name2-amino-N-(2,2-dimethyl-1,3-benzodioxol-5-yl)propanamide
SMILESCC(N)C(=O)Nc1ccc2c(c1)OC(C)(C)O2
InChIInChI=1S/C12H16N2O3/c1-7(13)11(15)14-8-4-5-9-10(6-8)17-12(2,3)16-9/h4-7H,13H2,1-3H3,(H,14,15)
InChIKeyYHJUFRXTGQJBPL-UHFFFAOYSA-N
XLogP1.48
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-N-(2,2-dimethyl-1,3-benzodioxol-5-yl)-4-methylpentanamide
CID 61155842
(2S)-2-amino-N-(2,2-dimethyl-1,3-benzodioxol-5-yl)hexanamide
CID 103950113
(2S)-2-amino-N-(1,3-benzodioxol-5-yl)propanamide
CID 22690584
2-amino-N-(2,2-difluoro-1,3-benzodioxol-5-yl)-3-methylbutanamide
CID 24702400
(2S)-2-amino-N-(2,2-difluoro-1,3-benzodioxol-5-yl)-3-methylbutanamide;hydrochloride
CID 119273486
2-(cyclopropylmethoxy)-N-(2,2-dimethyl-1,3-benzodioxol-5-yl)propanamide
CID 47079469
3-(2,2-dimethyl-1,3-benzodioxol-5-yl)-1,1-diethylurea
CID 47223959
N-(2,2-dimethyl-1,3-benzodioxol-5-yl)-3-(ethylamino)butanamide
CID 62838808
4-[(2,2-dimethyl-1,3-benzodioxol-5-yl)amino]-2,3-dimethyl-4-oxobut-2-enoic acid
CID 76992760
2-amino-N-(2,2-difluoro-1,3-benzodioxol-5-yl)-3,3-dimethylbutanamide
CID 76892326
N-[1-[(2,2-dimethyl-1,3-benzodioxol-5-yl)amino]-3-methyl-1-oxopentan-2-yl]benzamide
CID 55727905
4-amino-N-(2,2-dimethyl-1,3-benzodioxol-5-yl)oxane-4-carboxamide
CID 115293826

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2,2-dimethyl-1,3-benzodioxol-5-yl)propanamide?
The IUPAC name of 2-amino-N-(2,2-dimethyl-1,3-benzodioxol-5-yl)propanamide (CID 43700348) is 2-amino-N-(2,2-dimethyl-1,3-benzodioxol-5-yl)propanamide.
What is the SMILES notation for 2-amino-N-(2,2-dimethyl-1,3-benzodioxol-5-yl)propanamide?
The canonical SMILES for 2-amino-N-(2,2-dimethyl-1,3-benzodioxol-5-yl)propanamide is CC(N)C(=O)Nc1ccc2c(c1)OC(C)(C)O2.
What is the InChIKey of 2-amino-N-(2,2-dimethyl-1,3-benzodioxol-5-yl)propanamide?
The InChIKey is YHJUFRXTGQJBPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c1-7(13)11(15)14-8-4-5-9-10(6-8)17-12(2,3)16-9/h4-7H,13H2,1-3H3,(H,14,15).
What are the key properties of 2-amino-N-(2,2-dimethyl-1,3-benzodioxol-5-yl)propanamide?
2-amino-N-(2,2-dimethyl-1,3-benzodioxol-5-yl)propanamide has a molecular weight of 236.27 g/mol, XLogP of 1.48, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2,2-dimethyl-1,3-benzodioxol-5-yl)propanamide is sourced from PubChem (CID 43700348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).