(2R,3S)-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-methylmorpholine-3-carboxamide;hydrochloride

C16H23ClN2O4 — CID 120918311

IUPAC(2R,3S)-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-methylmorpholine-3-carboxamide;hydrochloride
SMILESC[C@H]1OCCN[C@@H]1C(=O)NCCc1ccc2c(c1)OCCO2.Cl
InChIInChI=1S/C16H22N2O4.ClH/c1-11-15(17-6-7-20-11)16(19)18-5-4-12-2-3-13-14(10-12)22-9-8-21-13;/h2-3,10-11,15,17H,4-9H2,1H3,(H,18,19);1H/t11-,15+;/m1./s1
InChIKeyIPBULOISFINFEU-BTAXJDQBSA-N
MW342.82 g/mol
LogP0.92
Rot. Bonds4

About (2R,3S)-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-methylmorpholine-3-carboxamide;hydrochloride

(2R,3S)-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-methylmorpholine-3-carboxamide;hydrochloride (PubChem CID 120918311) has the molecular formula C16H23ClN2O4 and a molecular weight of 342.82 g/mol. Its IUPAC name is (2R,3S)-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-methylmorpholine-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2R,3S)-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-methylmorpholine-3-carboxamide;hydrochloride
PubChem CID120918311
Molecular FormulaC16H23ClN2O4
Molecular Weight342.82 g/mol
Exact Mass342.13
IUPAC Name(2R,3S)-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-methylmorpholine-3-carboxamide;hydrochloride
SMILESC[C@H]1OCCN[C@@H]1C(=O)NCCc1ccc2c(c1)OCCO2.Cl
InChIInChI=1S/C16H22N2O4.ClH/c1-11-15(17-6-7-20-11)16(19)18-5-4-12-2-3-13-14(10-12)22-9-8-21-13;/h2-3,10-11,15,17H,4-9H2,1H3,(H,18,19);1H/t11-,15+;/m1./s1
InChIKeyIPBULOISFINFEU-BTAXJDQBSA-N
XLogP0.92
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.82
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R,3S)-N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120932530
(2R,3S)-2-methyl-N-[2-(3-methylphenyl)ethyl]morpholine-3-carboxamide;hydrochloride
CID 120927296
(2R,3S)-N-[2-(3-fluoro-4-methoxyphenyl)ethyl]-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120931152
(2R,3S)-N-[2-(1,3-benzodioxol-5-yloxy)ethyl]-2-methylmorpholine-3-carboxamide
CID 120925919
(2R,3S)-2-methyl-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]morpholine-3-carboxamide;hydrochloride
CID 120919526
(2R,3S)-N-[2-(2-chlorophenyl)ethyl]-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120921534
(2R,3S)-N-[2-(1-benzofuran-2-yl)ethyl]-2-methylmorpholine-3-carboxamide
CID 120934546
(2R,3S)-N-[2-(2,6-difluorophenyl)ethyl]-2-methylmorpholine-3-carboxamide
CID 120924153
(2R,3S)-N-(2-aminoethyl)-2-methylmorpholine-3-carboxamide;hydrochloride
CID 131186208
(2R,3S)-N-[2-(4-methoxyphenoxy)ethyl]-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120919950
(2R,3S)-2-methyl-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]morpholine-3-carboxamide;hydrochloride
CID 120918381
(2R,3S)-N-[2-(3,5-dimethylphenoxy)ethyl]-2-methylmorpholine-3-carboxamide
CID 120927464

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-methylmorpholine-3-carboxamide;hydrochloride?
The IUPAC name of (2R,3S)-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-methylmorpholine-3-carboxamide;hydrochloride (CID 120918311) is (2R,3S)-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-methylmorpholine-3-carboxamide;hydrochloride.
What is the SMILES notation for (2R,3S)-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-methylmorpholine-3-carboxamide;hydrochloride?
The canonical SMILES for (2R,3S)-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-methylmorpholine-3-carboxamide;hydrochloride is C[C@H]1OCCN[C@@H]1C(=O)NCCc1ccc2c(c1)OCCO2.Cl.
What is the InChIKey of (2R,3S)-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-methylmorpholine-3-carboxamide;hydrochloride?
The InChIKey is IPBULOISFINFEU-BTAXJDQBSA-N. The full InChI is InChI=1S/C16H22N2O4.ClH/c1-11-15(17-6-7-20-11)16(19)18-5-4-12-2-3-13-14(10-12)22-9-8-21-13;/h2-3,10-11,15,17H,4-9H2,1H3,(H,18,19);1H/t11-,15+;/m1./s1.
What are the key properties of (2R,3S)-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-methylmorpholine-3-carboxamide;hydrochloride?
(2R,3S)-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-methylmorpholine-3-carboxamide;hydrochloride has a molecular weight of 342.82 g/mol, XLogP of 0.92, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-methylmorpholine-3-carboxamide;hydrochloride is sourced from PubChem (CID 120918311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).