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

C17H17NO3 — CID 788859

IUPACN-benzyl-N-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide
SMILESCN(Cc1ccccc1)C(=O)c1ccc2c(c1)OCCO2
InChIInChI=1S/C17H17NO3/c1-18(12-13-5-3-2-4-6-13)17(19)14-7-8-15-16(11-14)21-10-9-20-15/h2-8,11H,9-10,12H2,1H3
InChIKeyLBYHOTOASGUSHO-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.73
Rot. Bonds3

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

N-benzyl-N-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide (PubChem CID 788859) has the molecular formula C17H17NO3 and a molecular weight of 283.33 g/mol. Its IUPAC name is N-benzyl-N-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide
PubChem CID788859
Molecular FormulaC17H17NO3
Molecular Weight283.33 g/mol
Exact Mass283.12
IUPAC NameN-benzyl-N-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide
SMILESCN(Cc1ccccc1)C(=O)c1ccc2c(c1)OCCO2
InChIInChI=1S/C17H17NO3/c1-18(12-13-5-3-2-4-6-13)17(19)14-7-8-15-16(11-14)21-10-9-20-15/h2-8,11H,9-10,12H2,1H3
InChIKeyLBYHOTOASGUSHO-UHFFFAOYSA-N
XLogP2.73
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-ethoxyphenyl)methyl]-N-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 34865342
N-benzyl-N-propyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 134028436
N-ethyl-N-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 134057917
N-benzyl-N-(2-methoxyethyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 134028376
N-(3-aminopropyl)-N-benzyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide;hydrochloride
CID 120648747
N-methyl-N-[(5-methylfuran-2-yl)methyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 7535670
2-[benzyl(methyl)amino]ethyl 2,3-dihydro-1,4-benzodioxine-6-carboxylate
CID 661562
N-(2-phenylethyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 16547660
N-methyl-N-(naphthalen-1-ylmethyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
CID 51113425
5-[[2,3-dihydro-1,4-benzodioxine-6-carbonyl(methyl)amino]methyl]-2-methylfuran-3-carboxylic acid
CID 119222009
N-benzyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 718621
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-3-phenylpropanamide
CID 110752814

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
The IUPAC name of N-benzyl-N-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide (CID 788859) is N-benzyl-N-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide.
What is the SMILES notation for N-benzyl-N-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
The canonical SMILES for N-benzyl-N-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide is CN(Cc1ccccc1)C(=O)c1ccc2c(c1)OCCO2.
What is the InChIKey of N-benzyl-N-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
The InChIKey is LBYHOTOASGUSHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO3/c1-18(12-13-5-3-2-4-6-13)17(19)14-7-8-15-16(11-14)21-10-9-20-15/h2-8,11H,9-10,12H2,1H3.
What are the key properties of N-benzyl-N-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
N-benzyl-N-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide has a molecular weight of 283.33 g/mol, XLogP of 2.73, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide is sourced from PubChem (CID 788859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).