2-amino-N-methyl-2-(6-methyl-1,3-benzodioxol-5-yl)acetamide

C11H14N2O3 — CID 116850457

IUPAC2-amino-N-methyl-2-(6-methyl-1,3-benzodioxol-5-yl)acetamide
SMILESCNC(=O)C(N)c1cc2c(cc1C)OCO2
InChIInChI=1S/C11H14N2O3/c1-6-3-8-9(16-5-15-8)4-7(6)10(12)11(14)13-2/h3-4,10H,5,12H2,1-2H3,(H,13,14)
InChIKeyAPNIAXDKCQPQBL-UHFFFAOYSA-N
MW222.24 g/mol
LogP0.47
Rot. Bonds2

About 2-amino-N-methyl-2-(6-methyl-1,3-benzodioxol-5-yl)acetamide

2-amino-N-methyl-2-(6-methyl-1,3-benzodioxol-5-yl)acetamide (PubChem CID 116850457) has the molecular formula C11H14N2O3 and a molecular weight of 222.24 g/mol. Its IUPAC name is 2-amino-N-methyl-2-(6-methyl-1,3-benzodioxol-5-yl)acetamide.

Molecular Properties

Compound Name2-amino-N-methyl-2-(6-methyl-1,3-benzodioxol-5-yl)acetamide
PubChem CID116850457
Molecular FormulaC11H14N2O3
Molecular Weight222.24 g/mol
Exact Mass222.10
IUPAC Name2-amino-N-methyl-2-(6-methyl-1,3-benzodioxol-5-yl)acetamide
SMILESCNC(=O)C(N)c1cc2c(cc1C)OCO2
InChIInChI=1S/C11H14N2O3/c1-6-3-8-9(16-5-15-8)4-7(6)10(12)11(14)13-2/h3-4,10H,5,12H2,1-2H3,(H,13,14)
InChIKeyAPNIAXDKCQPQBL-UHFFFAOYSA-N
XLogP0.47
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)acetohydrazide
CID 116848474
N'-methyl-2-(6-methyl-1,3-benzodioxol-5-yl)propanehydrazide
CID 116847099
N'-methyl-1-(6-methyl-1,3-benzodioxol-5-yl)methanediamine
CID 116939392
amino-(6-methyl-1,3-benzodioxol-5-yl)methanethiol
CID 116939551
methyl 2-amino-2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)acetate
CID 116856934
1,3-diamino-1-(6-methyl-1,3-benzodioxol-5-yl)propan-2-ol
CID 116942599
1-[amino-(6-methyl-1,3-benzodioxol-5-yl)methyl]cyclobutane-1-carboxylic acid
CID 116944122
methyl (2S)-2-amino-2-(6-chloro-1,3-benzodioxol-5-yl)acetate
CID 131278092
2,2-dimethyl-3-(methylamino)-3-(6-methyl-1,3-benzodioxol-5-yl)propanoic acid
CID 116953267
1-(dimethylamino)-1-(6-methyl-1,3-benzodioxol-5-yl)propan-2-one
CID 116860007
1-(6-methyl-1,3-benzodioxol-5-yl)prop-2-en-1-amine
CID 83636881
1-(6-methyl-1,3-benzodioxol-5-yl)propane-1,3-diamine
CID 116932852

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-methyl-2-(6-methyl-1,3-benzodioxol-5-yl)acetamide?
The IUPAC name of 2-amino-N-methyl-2-(6-methyl-1,3-benzodioxol-5-yl)acetamide (CID 116850457) is 2-amino-N-methyl-2-(6-methyl-1,3-benzodioxol-5-yl)acetamide.
What is the SMILES notation for 2-amino-N-methyl-2-(6-methyl-1,3-benzodioxol-5-yl)acetamide?
The canonical SMILES for 2-amino-N-methyl-2-(6-methyl-1,3-benzodioxol-5-yl)acetamide is CNC(=O)C(N)c1cc2c(cc1C)OCO2.
What is the InChIKey of 2-amino-N-methyl-2-(6-methyl-1,3-benzodioxol-5-yl)acetamide?
The InChIKey is APNIAXDKCQPQBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3/c1-6-3-8-9(16-5-15-8)4-7(6)10(12)11(14)13-2/h3-4,10H,5,12H2,1-2H3,(H,13,14).
What are the key properties of 2-amino-N-methyl-2-(6-methyl-1,3-benzodioxol-5-yl)acetamide?
2-amino-N-methyl-2-(6-methyl-1,3-benzodioxol-5-yl)acetamide has a molecular weight of 222.24 g/mol, XLogP of 0.47, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-methyl-2-(6-methyl-1,3-benzodioxol-5-yl)acetamide is sourced from PubChem (CID 116850457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).