N-(2-hydroxyethyl)-N-methyl-1,3-benzodioxole-5-carboxamide

C11H13NO4 — CID 39245580

IUPACN-(2-hydroxyethyl)-N-methyl-1,3-benzodioxole-5-carboxamide
SMILESCN(CCO)C(=O)c1ccc2c(c1)OCO2
InChIInChI=1S/C11H13NO4/c1-12(4-5-13)11(14)8-2-3-9-10(6-8)16-7-15-9/h2-3,6,13H,4-5,7H2,1H3
InChIKeyIYCFLINBFBPJGD-UHFFFAOYSA-N
MW223.23 g/mol
LogP0.48
Rot. Bonds3

About N-(2-hydroxyethyl)-N-methyl-1,3-benzodioxole-5-carboxamide

N-(2-hydroxyethyl)-N-methyl-1,3-benzodioxole-5-carboxamide (PubChem CID 39245580) has the molecular formula C11H13NO4 and a molecular weight of 223.23 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-N-methyl-1,3-benzodioxole-5-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-N-methyl-1,3-benzodioxole-5-carboxamide
PubChem CID39245580
Molecular FormulaC11H13NO4
Molecular Weight223.23 g/mol
Exact Mass223.08
IUPAC NameN-(2-hydroxyethyl)-N-methyl-1,3-benzodioxole-5-carboxamide
SMILESCN(CCO)C(=O)c1ccc2c(c1)OCO2
InChIInChI=1S/C11H13NO4/c1-12(4-5-13)11(14)8-2-3-9-10(6-8)16-7-15-9/h2-3,6,13H,4-5,7H2,1H3
InChIKeyIYCFLINBFBPJGD-UHFFFAOYSA-N
XLogP0.48
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(chloromethyl)-N-methyl-1,3-benzodioxole-5-carboxamide
CID 10331338
4-[1,3-benzodioxole-5-carbonyl(methyl)amino]butanoic acid
CID 43090104
methyl 3-[1,3-benzodioxole-5-carbonyl(methyl)amino]propanoate
CID 54980166
4-(1,3-benzodioxol-5-yl)-N-(3-hydroxypropyl)-N-methylbenzamide
CID 118778970
N-methyl-N-(2-piperidin-1-ylethyl)-1,3-benzodioxole-5-carboxamide
CID 110752384
N-(2-amino-2-hydroxyiminoethyl)-N-methyl-1,3-benzodioxole-5-carboxamide
CID 76929094
N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)-1,3-benzodioxole-5-carboxamide
CID 103857432
N-(3-amino-2-methylpropyl)-N-methyl-1,3-benzodioxole-5-carboxamide
CID 54992436
N-methyl-N-[2-(2-methylphenoxy)ethyl]-1,3-benzodioxole-5-carboxamide
CID 26979272
N-(2-hydroxyethyl)-N-methylnaphthalene-2-carboxamide
CID 39949841
N-ethyl-N-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 134057917
N-(3-hydroxybutyl)-N-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 115673368

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-N-methyl-1,3-benzodioxole-5-carboxamide?
The IUPAC name of N-(2-hydroxyethyl)-N-methyl-1,3-benzodioxole-5-carboxamide (CID 39245580) is N-(2-hydroxyethyl)-N-methyl-1,3-benzodioxole-5-carboxamide.
What is the SMILES notation for N-(2-hydroxyethyl)-N-methyl-1,3-benzodioxole-5-carboxamide?
The canonical SMILES for N-(2-hydroxyethyl)-N-methyl-1,3-benzodioxole-5-carboxamide is CN(CCO)C(=O)c1ccc2c(c1)OCO2.
What is the InChIKey of N-(2-hydroxyethyl)-N-methyl-1,3-benzodioxole-5-carboxamide?
The InChIKey is IYCFLINBFBPJGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO4/c1-12(4-5-13)11(14)8-2-3-9-10(6-8)16-7-15-9/h2-3,6,13H,4-5,7H2,1H3.
What are the key properties of N-(2-hydroxyethyl)-N-methyl-1,3-benzodioxole-5-carboxamide?
N-(2-hydroxyethyl)-N-methyl-1,3-benzodioxole-5-carboxamide has a molecular weight of 223.23 g/mol, XLogP of 0.48, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-N-methyl-1,3-benzodioxole-5-carboxamide is sourced from PubChem (CID 39245580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).