N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methylmorpholine-2-carboxamide;hydrochloride

C15H21ClN2O4 — CID 119683309

IUPACN-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methylmorpholine-2-carboxamide;hydrochloride
SMILESCN(CC1COc2ccccc2O1)C(=O)C1CNCCO1.Cl
InChIInChI=1S/C15H20N2O4.ClH/c1-17(15(18)14-8-16-6-7-19-14)9-11-10-20-12-4-2-3-5-13(12)21-11;/h2-5,11,14,16H,6-10H2,1H3;1H
InChIKeyWQCOWRNLXSGKDZ-UHFFFAOYSA-N
MW328.80 g/mol
LogP0.69
Rot. Bonds3

About N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methylmorpholine-2-carboxamide;hydrochloride

N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methylmorpholine-2-carboxamide;hydrochloride (PubChem CID 119683309) has the molecular formula C15H21ClN2O4 and a molecular weight of 328.80 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methylmorpholine-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methylmorpholine-2-carboxamide;hydrochloride
PubChem CID119683309
Molecular FormulaC15H21ClN2O4
Molecular Weight328.80 g/mol
Exact Mass328.12
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methylmorpholine-2-carboxamide;hydrochloride
SMILESCN(CC1COc2ccccc2O1)C(=O)C1CNCCO1.Cl
InChIInChI=1S/C15H20N2O4.ClH/c1-17(15(18)14-8-16-6-7-19-14)9-11-10-20-12-4-2-3-5-13(12)21-11;/h2-5,11,14,16H,6-10H2,1H3;1H
InChIKeyWQCOWRNLXSGKDZ-UHFFFAOYSA-N
XLogP0.69
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.80
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-N-methyl-N-[[(3S)-pyrrolidin-3-yl]methyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 97164554
N-methyl-N-(oxolan-2-ylmethyl)morpholine-2-carboxamide;hydrochloride
CID 119708798
(3R)-N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N-methyl-6-oxopiperidine-3-carboxamide
CID 94152365
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-morpholin-2-ylacetamide
CID 66427021
(2S)-2-amino-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N,3-dimethylbutanamide
CID 61259944
(2R,3S)-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-ethyl-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120918609
(2R)-N-[(1-benzylpiperidin-4-yl)methyl]-N-methylmorpholine-2-carboxamide
CID 96579373
N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]morpholine-2-carboxamide;dihydrochloride
CID 119836475
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-hydroxy-N-methylbenzamide
CID 43009601
9-amino-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methylbicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120983489
(2S)-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]morpholine-2-carboxamide
CID 124685793
N-[[3,5-dimethyl-1-(2-methylphenyl)pyrazol-4-yl]methyl]-N-methylmorpholine-2-carboxamide;hydrochloride
CID 119751324

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methylmorpholine-2-carboxamide;hydrochloride?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methylmorpholine-2-carboxamide;hydrochloride (CID 119683309) is N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methylmorpholine-2-carboxamide;hydrochloride.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methylmorpholine-2-carboxamide;hydrochloride?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methylmorpholine-2-carboxamide;hydrochloride is CN(CC1COc2ccccc2O1)C(=O)C1CNCCO1.Cl.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methylmorpholine-2-carboxamide;hydrochloride?
The InChIKey is WQCOWRNLXSGKDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4.ClH/c1-17(15(18)14-8-16-6-7-19-14)9-11-10-20-12-4-2-3-5-13(12)21-11;/h2-5,11,14,16H,6-10H2,1H3;1H.
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methylmorpholine-2-carboxamide;hydrochloride?
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methylmorpholine-2-carboxamide;hydrochloride has a molecular weight of 328.80 g/mol, XLogP of 0.69, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methylmorpholine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119683309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).