N-ethyl-N-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide

C12H15NO3 — CID 134057912

IUPACN-ethyl-N-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide
SMILESCCN(C)C(=O)C1COc2ccccc2O1
InChIInChI=1S/C12H15NO3/c1-3-13(2)12(14)11-8-15-9-6-4-5-7-10(9)16-11/h4-7,11H,3,8H2,1-2H3
InChIKeyTZWNPLNTSZOOQT-UHFFFAOYSA-N
MW221.26 g/mol
LogP1.30
Rot. Bonds2

About N-ethyl-N-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide

N-ethyl-N-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide (PubChem CID 134057912) has the molecular formula C12H15NO3 and a molecular weight of 221.26 g/mol. Its IUPAC name is N-ethyl-N-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide
PubChem CID134057912
Molecular FormulaC12H15NO3
Molecular Weight221.26 g/mol
Exact Mass221.11
IUPAC NameN-ethyl-N-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide
SMILESCCN(C)C(=O)C1COc2ccccc2O1
InChIInChI=1S/C12H15NO3/c1-3-13(2)12(14)11-8-15-9-6-4-5-7-10(9)16-11/h4-7,11H,3,8H2,1-2H3
InChIKeyTZWNPLNTSZOOQT-UHFFFAOYSA-N
XLogP1.30
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-hydroxy-2-methylpropyl)-N-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 79291238
N-(2-amino-2-hydroxyiminoethyl)-N-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 76929190
(3S)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 8501078
N-methyl-N-phenyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 17015071
(3S)-N,N-di(propan-2-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 95989083
(3S)-N-methyl-N-[(4-methylsulfanylphenyl)methyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 2715568
3-(2,3-dihydro-1,4-benzodioxin-3-yl)-3-oxopropanoic acid
CID 170887001
N-[(4-cyanophenyl)methyl]-N-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 134054803
(3R)-N-methyl-N-[[(3S)-pyrrolidin-3-yl]methyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 97164554
(3R)-N-[(3-fluorophenyl)methyl]-N-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 9094456
N-methyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 4875130
(3R)-N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 2672698

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
The IUPAC name of N-ethyl-N-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide (CID 134057912) is N-ethyl-N-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide.
What is the SMILES notation for N-ethyl-N-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
The canonical SMILES for N-ethyl-N-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide is CCN(C)C(=O)C1COc2ccccc2O1.
What is the InChIKey of N-ethyl-N-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
The InChIKey is TZWNPLNTSZOOQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO3/c1-3-13(2)12(14)11-8-15-9-6-4-5-7-10(9)16-11/h4-7,11H,3,8H2,1-2H3.
What are the key properties of N-ethyl-N-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
N-ethyl-N-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide has a molecular weight of 221.26 g/mol, XLogP of 1.30, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide is sourced from PubChem (CID 134057912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).