N,2-dimethyl-1,3-benzodioxole-5-carboxamide

C10H11NO3 — CID 67628394

IUPACN,2-dimethyl-1,3-benzodioxole-5-carboxamide
SMILESCNC(=O)c1ccc2c(c1)OC(C)O2
InChIInChI=1S/C10H11NO3/c1-6-13-8-4-3-7(10(12)11-2)5-9(8)14-6/h3-6H,1-2H3,(H,11,12)
InChIKeyORXLKNWZIQMBCN-UHFFFAOYSA-N
MW193.20 g/mol
LogP1.16
Rot. Bonds1

About N,2-dimethyl-1,3-benzodioxole-5-carboxamide

N,2-dimethyl-1,3-benzodioxole-5-carboxamide (PubChem CID 67628394) has the molecular formula C10H11NO3 and a molecular weight of 193.20 g/mol. Its IUPAC name is N,2-dimethyl-1,3-benzodioxole-5-carboxamide.

Molecular Properties

Compound NameN,2-dimethyl-1,3-benzodioxole-5-carboxamide
PubChem CID67628394
Molecular FormulaC10H11NO3
Molecular Weight193.20 g/mol
Exact Mass193.07
IUPAC NameN,2-dimethyl-1,3-benzodioxole-5-carboxamide
SMILESCNC(=O)c1ccc2c(c1)OC(C)O2
InChIInChI=1S/C10H11NO3/c1-6-13-8-4-3-7(10(12)11-2)5-9(8)14-6/h3-6H,1-2H3,(H,11,12)
InChIKeyORXLKNWZIQMBCN-UHFFFAOYSA-N
XLogP1.16
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.20
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-1,3-benzodioxole-5-carboxylic acid
CID 15546141
N,2-dimethyl-3-oxo-4H-1,4-benzoxazine-6-carboxamide
CID 116827630
(2-methyl-1,3-benzodioxol-5-yl)-piperidin-1-ylmethanone
CID 11701530
1-N,3-N,5-N-trimethylbenzene-1,3,5-tricarboxamide
CID 22943140
CID 174080920
CID 174080920
N-methyl-2H-1,4-benzoxazine-7-carboxamide
CID 91549866
1-N,3-N,3-N-trimethyl-4-(methylamino)benzene-1,3-dicarboxamide
CID 171530653
(Z)-3-[(2-methyl-1,3-benzodioxol-5-yl)amino]-1-phenylprop-2-en-1-one
CID 139527893
N,1-dimethyl-2,3-dihydro-1H-indene-5-carboxamide
CID 58663133
2-ethyl-1,3-benzodioxole-5-carboxamide
CID 137423429
3,4-ditert-butyl-N-methylbenzamide
CID 146575850
1-N-methyl-4-N,4-N-di(propan-2-yl)benzene-1,4-dicarboxamide
CID 793999

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-1,3-benzodioxole-5-carboxamide?
The IUPAC name of N,2-dimethyl-1,3-benzodioxole-5-carboxamide (CID 67628394) is N,2-dimethyl-1,3-benzodioxole-5-carboxamide.
What is the SMILES notation for N,2-dimethyl-1,3-benzodioxole-5-carboxamide?
The canonical SMILES for N,2-dimethyl-1,3-benzodioxole-5-carboxamide is CNC(=O)c1ccc2c(c1)OC(C)O2.
What is the InChIKey of N,2-dimethyl-1,3-benzodioxole-5-carboxamide?
The InChIKey is ORXLKNWZIQMBCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO3/c1-6-13-8-4-3-7(10(12)11-2)5-9(8)14-6/h3-6H,1-2H3,(H,11,12).
What are the key properties of N,2-dimethyl-1,3-benzodioxole-5-carboxamide?
N,2-dimethyl-1,3-benzodioxole-5-carboxamide has a molecular weight of 193.20 g/mol, XLogP of 1.16, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-1,3-benzodioxole-5-carboxamide is sourced from PubChem (CID 67628394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).