(2R,3S)-N-benzyl-2-methylmorpholine-3-carboxamide;hydrochloride

C13H19ClN2O2 — CID 120916874

IUPAC(2R,3S)-N-benzyl-2-methylmorpholine-3-carboxamide;hydrochloride
SMILESC[C@H]1OCCN[C@@H]1C(=O)NCc1ccccc1.Cl
InChIInChI=1S/C13H18N2O2.ClH/c1-10-12(14-7-8-17-10)13(16)15-9-11-5-3-2-4-6-11;/h2-6,10,12,14H,7-9H2,1H3,(H,15,16);1H/t10-,12+;/m1./s1
InChIKeyQOOSEIPSBFTOBX-IYJPBCIQSA-N
MW270.76 g/mol
LogP1.10
Rot. Bonds3

About (2R,3S)-N-benzyl-2-methylmorpholine-3-carboxamide;hydrochloride

(2R,3S)-N-benzyl-2-methylmorpholine-3-carboxamide;hydrochloride (PubChem CID 120916874) has the molecular formula C13H19ClN2O2 and a molecular weight of 270.76 g/mol. Its IUPAC name is (2R,3S)-N-benzyl-2-methylmorpholine-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2R,3S)-N-benzyl-2-methylmorpholine-3-carboxamide;hydrochloride
PubChem CID120916874
Molecular FormulaC13H19ClN2O2
Molecular Weight270.76 g/mol
Exact Mass270.11
IUPAC Name(2R,3S)-N-benzyl-2-methylmorpholine-3-carboxamide;hydrochloride
SMILESC[C@H]1OCCN[C@@H]1C(=O)NCc1ccccc1.Cl
InChIInChI=1S/C13H18N2O2.ClH/c1-10-12(14-7-8-17-10)13(16)15-9-11-5-3-2-4-6-11;/h2-6,10,12,14H,7-9H2,1H3,(H,15,16);1H/t10-,12+;/m1./s1
InChIKeyQOOSEIPSBFTOBX-IYJPBCIQSA-N
XLogP1.10
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.76
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,3S)-2-methyl-N-[(4-phenylmethoxyphenyl)methyl]morpholine-3-carboxamide
CID 120922641
(2R,3S)-2-methyl-N-[[3-(phenylmethoxymethyl)phenyl]methyl]morpholine-3-carboxamide;hydrochloride
CID 120923523
(2R,3S)-N-[[3-(hydroxymethyl)phenyl]methyl]-2-methylmorpholine-3-carboxamide
CID 120931249
(2R,3S)-N-[2-(benzylsulfamoyl)ethyl]-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120924330
(2R,3S)-2-methyl-N-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]morpholine-3-carboxamide;hydrochloride
CID 120927680
N-benzyl-1-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperidine-4-carboxamide;hydrochloride
CID 120919828
(2R,3S)-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-methylmorpholine-3-carboxamide;dihydrochloride
CID 120938228
(2R,3S)-2-methyl-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]morpholine-3-carboxamide;hydrochloride
CID 120924763
(2R,3S)-N-[[2-(dimethylamino)phenyl]methyl]-2-methylmorpholine-3-carboxamide;dihydrochloride
CID 120940688
(2R,3S)-2-methyl-N-(2-phenylmethoxyethyl)morpholine-3-carboxamide
CID 120930614
(2R,3S)-N-(isoquinolin-1-ylmethyl)-2-methylmorpholine-3-carboxamide;dihydrochloride
CID 120938479
(2R,3S)-N-[[3-(ethylcarbamoyl)phenyl]methyl]-2-methylmorpholine-3-carboxamide
CID 120925797

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-N-benzyl-2-methylmorpholine-3-carboxamide;hydrochloride?
The IUPAC name of (2R,3S)-N-benzyl-2-methylmorpholine-3-carboxamide;hydrochloride (CID 120916874) is (2R,3S)-N-benzyl-2-methylmorpholine-3-carboxamide;hydrochloride.
What is the SMILES notation for (2R,3S)-N-benzyl-2-methylmorpholine-3-carboxamide;hydrochloride?
The canonical SMILES for (2R,3S)-N-benzyl-2-methylmorpholine-3-carboxamide;hydrochloride is C[C@H]1OCCN[C@@H]1C(=O)NCc1ccccc1.Cl.
What is the InChIKey of (2R,3S)-N-benzyl-2-methylmorpholine-3-carboxamide;hydrochloride?
The InChIKey is QOOSEIPSBFTOBX-IYJPBCIQSA-N. The full InChI is InChI=1S/C13H18N2O2.ClH/c1-10-12(14-7-8-17-10)13(16)15-9-11-5-3-2-4-6-11;/h2-6,10,12,14H,7-9H2,1H3,(H,15,16);1H/t10-,12+;/m1./s1.
What are the key properties of (2R,3S)-N-benzyl-2-methylmorpholine-3-carboxamide;hydrochloride?
(2R,3S)-N-benzyl-2-methylmorpholine-3-carboxamide;hydrochloride has a molecular weight of 270.76 g/mol, XLogP of 1.10, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-N-benzyl-2-methylmorpholine-3-carboxamide;hydrochloride is sourced from PubChem (CID 120916874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).