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

C17H25ClN2O4 — CID 120918609

IUPAC(2R,3S)-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-ethyl-2-methylmorpholine-3-carboxamide;hydrochloride
SMILESCCN(CC1COc2ccccc2O1)C(=O)[C@H]1NCCO[C@@H]1C.Cl
InChIInChI=1S/C17H24N2O4.ClH/c1-3-19(17(20)16-12(2)21-9-8-18-16)10-13-11-22-14-6-4-5-7-15(14)23-13;/h4-7,12-13,16,18H,3,8-11H2,1-2H3;1H/t12-,13?,16+;/m1./s1
InChIKeyOMNHZSYJSDIIOR-FEBVVZALSA-N
MW356.85 g/mol
LogP1.47
Rot. Bonds4

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

(2R,3S)-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-ethyl-2-methylmorpholine-3-carboxamide;hydrochloride (PubChem CID 120918609) has the molecular formula C17H25ClN2O4 and a molecular weight of 356.85 g/mol. Its IUPAC name is (2R,3S)-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-ethyl-2-methylmorpholine-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2R,3S)-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-ethyl-2-methylmorpholine-3-carboxamide;hydrochloride
PubChem CID120918609
Molecular FormulaC17H25ClN2O4
Molecular Weight356.85 g/mol
Exact Mass356.15
IUPAC Name(2R,3S)-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-ethyl-2-methylmorpholine-3-carboxamide;hydrochloride
SMILESCCN(CC1COc2ccccc2O1)C(=O)[C@H]1NCCO[C@@H]1C.Cl
InChIInChI=1S/C17H24N2O4.ClH/c1-3-19(17(20)16-12(2)21-9-8-18-16)10-13-11-22-14-6-4-5-7-15(14)23-13;/h4-7,12-13,16,18H,3,8-11H2,1-2H3;1H/t12-,13?,16+;/m1./s1
InChIKeyOMNHZSYJSDIIOR-FEBVVZALSA-N
XLogP1.47
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.85
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (2R,3S)-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-ethyl-2-methylmorpholine-3-carboxamide;hydrochloride?
The IUPAC name of (2R,3S)-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-ethyl-2-methylmorpholine-3-carboxamide;hydrochloride (CID 120918609) is (2R,3S)-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-ethyl-2-methylmorpholine-3-carboxamide;hydrochloride.
What is the SMILES notation for (2R,3S)-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-ethyl-2-methylmorpholine-3-carboxamide;hydrochloride?
The canonical SMILES for (2R,3S)-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-ethyl-2-methylmorpholine-3-carboxamide;hydrochloride is CCN(CC1COc2ccccc2O1)C(=O)[C@H]1NCCO[C@@H]1C.Cl.
What is the InChIKey of (2R,3S)-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-ethyl-2-methylmorpholine-3-carboxamide;hydrochloride?
The InChIKey is OMNHZSYJSDIIOR-FEBVVZALSA-N. The full InChI is InChI=1S/C17H24N2O4.ClH/c1-3-19(17(20)16-12(2)21-9-8-18-16)10-13-11-22-14-6-4-5-7-15(14)23-13;/h4-7,12-13,16,18H,3,8-11H2,1-2H3;1H/t12-,13?,16+;/m1./s1.
What are the key properties of (2R,3S)-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-ethyl-2-methylmorpholine-3-carboxamide;hydrochloride?
(2R,3S)-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-ethyl-2-methylmorpholine-3-carboxamide;hydrochloride has a molecular weight of 356.85 g/mol, XLogP of 1.47, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-ethyl-2-methylmorpholine-3-carboxamide;hydrochloride is sourced from PubChem (CID 120918609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).