N-ethyl-N-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide

C12H15NO3 — CID 134057917

IUPACN-ethyl-N-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide
SMILESCCN(C)C(=O)c1ccc2c(c1)OCCO2
InChIInChI=1S/C12H15NO3/c1-3-13(2)12(14)9-4-5-10-11(8-9)16-7-6-15-10/h4-5,8H,3,6-7H2,1-2H3
InChIKeyVDVNVHWQKMEVQJ-UHFFFAOYSA-N
MW221.26 g/mol
LogP1.55
Rot. Bonds2

About N-ethyl-N-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide

N-ethyl-N-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide (PubChem CID 134057917) 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-6-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide
PubChem CID134057917
Molecular FormulaC12H15NO3
Molecular Weight221.26 g/mol
Exact Mass221.11
IUPAC NameN-ethyl-N-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide
SMILESCCN(C)C(=O)c1ccc2c(c1)OCCO2
InChIInChI=1S/C12H15NO3/c1-3-13(2)12(14)9-4-5-10-11(8-9)16-7-6-15-10/h4-5,8H,3,6-7H2,1-2H3
InChIKeyVDVNVHWQKMEVQJ-UHFFFAOYSA-N
XLogP1.55
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 ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-N-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 788859
N-butan-2-yl-N-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 121451464
N-(3-hydroxybutyl)-N-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 115673368
N-methyl-N-[(5-methylfuran-2-yl)methyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 7535670
N-[(4-ethoxyphenyl)methyl]-N-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 34865342
N-methyl-N-(piperidin-4-ylmethyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 71642366
N-(chloromethyl)-N-methyl-1,3-benzodioxole-5-carboxamide
CID 10331338
N-(2-hydroxyethyl)-N-methyl-1,3-benzodioxole-5-carboxamide
CID 39245580
2-[carboxymethyl(2,3-dihydro-1,4-benzodioxine-6-carbonyl)amino]acetic acid
CID 63650376
N-[2-(4-bromophenoxy)ethyl]-N-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 31206491
5-[[2,3-dihydro-1,4-benzodioxine-6-carbonyl(methyl)amino]methyl]-2-methylfuran-3-carboxylic acid
CID 119222009
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-ethyl-2-methoxybutan-1-one
CID 116747641

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
The IUPAC name of N-ethyl-N-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide (CID 134057917) is N-ethyl-N-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide.
What is the SMILES notation for N-ethyl-N-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
The canonical SMILES for N-ethyl-N-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide is CCN(C)C(=O)c1ccc2c(c1)OCCO2.
What is the InChIKey of N-ethyl-N-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
The InChIKey is VDVNVHWQKMEVQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO3/c1-3-13(2)12(14)9-4-5-10-11(8-9)16-7-6-15-10/h4-5,8H,3,6-7H2,1-2H3.
What are the key properties of N-ethyl-N-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
N-ethyl-N-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide has a molecular weight of 221.26 g/mol, XLogP of 1.55, 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-6-carboxamide is sourced from PubChem (CID 134057917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).