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

C14H19ClN2O4 — CID 120926614

IUPAC(2R,3S)-N-(1,3-benzodioxol-4-ylmethyl)-2-methylmorpholine-3-carboxamide;hydrochloride
SMILESC[C@H]1OCCN[C@@H]1C(=O)NCc1cccc2c1OCO2.Cl
InChIInChI=1S/C14H18N2O4.ClH/c1-9-12(15-5-6-18-9)14(17)16-7-10-3-2-4-11-13(10)20-8-19-11;/h2-4,9,12,15H,5-8H2,1H3,(H,16,17);1H/t9-,12+;/m1./s1
InChIKeyGFVBFHGDRDADGP-KATIXKQHSA-N
MW314.77 g/mol
LogP0.83
Rot. Bonds3

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

(2R,3S)-N-(1,3-benzodioxol-4-ylmethyl)-2-methylmorpholine-3-carboxamide;hydrochloride (PubChem CID 120926614) has the molecular formula C14H19ClN2O4 and a molecular weight of 314.77 g/mol. Its IUPAC name is (2R,3S)-N-(1,3-benzodioxol-4-ylmethyl)-2-methylmorpholine-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2R,3S)-N-(1,3-benzodioxol-4-ylmethyl)-2-methylmorpholine-3-carboxamide;hydrochloride
PubChem CID120926614
Molecular FormulaC14H19ClN2O4
Molecular Weight314.77 g/mol
Exact Mass314.10
IUPAC Name(2R,3S)-N-(1,3-benzodioxol-4-ylmethyl)-2-methylmorpholine-3-carboxamide;hydrochloride
SMILESC[C@H]1OCCN[C@@H]1C(=O)NCc1cccc2c1OCO2.Cl
InChIInChI=1S/C14H18N2O4.ClH/c1-9-12(15-5-6-18-9)14(17)16-7-10-3-2-4-11-13(10)20-8-19-11;/h2-4,9,12,15H,5-8H2,1H3,(H,16,17);1H/t9-,12+;/m1./s1
InChIKeyGFVBFHGDRDADGP-KATIXKQHSA-N
XLogP0.83
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.77
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,3-benzodioxol-4-ylmethyl)-3-methylpyrrolidine-2-carboxamide
CID 102779033
(2R,3S)-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-methylmorpholine-3-carboxamide;dihydrochloride
CID 120938228
(2R,3S)-N-[[2-(dimethylamino)phenyl]methyl]-2-methylmorpholine-3-carboxamide;dihydrochloride
CID 120940688
(2R,3S)-2-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]morpholine-3-carboxamide;hydrochloride
CID 120921553
(2R,3S)-N-benzyl-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120916874
N-(1,3-benzodioxol-4-ylmethyl)piperidine-2-carboxamide;hydrochloride
CID 119298906
(2R,3S)-N-[[2-(ethoxymethyl)phenyl]methyl]-2-methylmorpholine-3-carboxamide
CID 120923560
(2R,3S)-N-[[2-(difluoromethoxy)phenyl]methyl]-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120920803
N-(1,3-benzodioxol-4-ylmethyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide
CID 102892288
(2R,3S)-2-methyl-N-[[2-(propoxymethyl)phenyl]methyl]morpholine-3-carboxamide
CID 120925723
(2R,3S)-N-[[3-(hydroxymethyl)phenyl]methyl]-2-methylmorpholine-3-carboxamide
CID 120931249
(2R,3S)-N-[(2,4-dimethylphenyl)methyl]-2-methylmorpholine-3-carboxamide
CID 120923132

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-N-(1,3-benzodioxol-4-ylmethyl)-2-methylmorpholine-3-carboxamide;hydrochloride?
The IUPAC name of (2R,3S)-N-(1,3-benzodioxol-4-ylmethyl)-2-methylmorpholine-3-carboxamide;hydrochloride (CID 120926614) is (2R,3S)-N-(1,3-benzodioxol-4-ylmethyl)-2-methylmorpholine-3-carboxamide;hydrochloride.
What is the SMILES notation for (2R,3S)-N-(1,3-benzodioxol-4-ylmethyl)-2-methylmorpholine-3-carboxamide;hydrochloride?
The canonical SMILES for (2R,3S)-N-(1,3-benzodioxol-4-ylmethyl)-2-methylmorpholine-3-carboxamide;hydrochloride is C[C@H]1OCCN[C@@H]1C(=O)NCc1cccc2c1OCO2.Cl.
What is the InChIKey of (2R,3S)-N-(1,3-benzodioxol-4-ylmethyl)-2-methylmorpholine-3-carboxamide;hydrochloride?
The InChIKey is GFVBFHGDRDADGP-KATIXKQHSA-N. The full InChI is InChI=1S/C14H18N2O4.ClH/c1-9-12(15-5-6-18-9)14(17)16-7-10-3-2-4-11-13(10)20-8-19-11;/h2-4,9,12,15H,5-8H2,1H3,(H,16,17);1H/t9-,12+;/m1./s1.
What are the key properties of (2R,3S)-N-(1,3-benzodioxol-4-ylmethyl)-2-methylmorpholine-3-carboxamide;hydrochloride?
(2R,3S)-N-(1,3-benzodioxol-4-ylmethyl)-2-methylmorpholine-3-carboxamide;hydrochloride has a molecular weight of 314.77 g/mol, XLogP of 0.83, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-N-(1,3-benzodioxol-4-ylmethyl)-2-methylmorpholine-3-carboxamide;hydrochloride is sourced from PubChem (CID 120926614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).