(2R,3S)-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-methylmorpholine-3-carboxamide;dihydrochloride

C16H27Cl2N3O2 — CID 120938228

IUPAC(2R,3S)-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-methylmorpholine-3-carboxamide;dihydrochloride
SMILESC[C@H]1OCCN[C@@H]1C(=O)NCc1ccccc1CN(C)C.Cl.Cl
InChIInChI=1S/C16H25N3O2.2ClH/c1-12-15(17-8-9-21-12)16(20)18-10-13-6-4-5-7-14(13)11-19(2)3;;/h4-7,12,15,17H,8-11H2,1-3H3,(H,18,20);2*1H/t12-,15+;;/m1../s1
InChIKeyOIUUHLOTVMVEPW-KJWOGLQMSA-N
MW364.32 g/mol
LogP1.58
Rot. Bonds5

About (2R,3S)-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-methylmorpholine-3-carboxamide;dihydrochloride

(2R,3S)-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-methylmorpholine-3-carboxamide;dihydrochloride (PubChem CID 120938228) has the molecular formula C16H27Cl2N3O2 and a molecular weight of 364.32 g/mol. Its IUPAC name is (2R,3S)-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-methylmorpholine-3-carboxamide;dihydrochloride.

Molecular Properties

Compound Name(2R,3S)-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-methylmorpholine-3-carboxamide;dihydrochloride
PubChem CID120938228
Molecular FormulaC16H27Cl2N3O2
Molecular Weight364.32 g/mol
Exact Mass363.15
IUPAC Name(2R,3S)-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-methylmorpholine-3-carboxamide;dihydrochloride
SMILESC[C@H]1OCCN[C@@H]1C(=O)NCc1ccccc1CN(C)C.Cl.Cl
InChIInChI=1S/C16H25N3O2.2ClH/c1-12-15(17-8-9-21-12)16(20)18-10-13-6-4-5-7-14(13)11-19(2)3;;/h4-7,12,15,17H,8-11H2,1-3H3,(H,18,20);2*1H/t12-,15+;;/m1../s1
InChIKeyOIUUHLOTVMVEPW-KJWOGLQMSA-N
XLogP1.58
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.32
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(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-[[2-(ethoxymethyl)phenyl]methyl]-2-methylmorpholine-3-carboxamide
CID 120923560
(2R,3S)-N-benzyl-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120916874
(2R,3S)-N-(1,3-benzodioxol-4-ylmethyl)-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120926614
(2R,3S)-2-methyl-N-[[2-(propoxymethyl)phenyl]methyl]morpholine-3-carboxamide
CID 120925723
(2R,3S)-N-[[2-(difluoromethoxy)phenyl]methyl]-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120920803
(2R,3S)-2-methyl-N-[(2-piperidin-1-ylsulfonylphenyl)methyl]morpholine-3-carboxamide;hydrochloride
CID 120920799
(2R,3S)-N-[2-(2-chlorophenyl)ethyl]-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120921534
(2R,3S)-N-[(2,4-dimethylphenyl)methyl]-2-methylmorpholine-3-carboxamide
CID 120923132
(2R,3S)-N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-2-methylmorpholine-3-carboxamide
CID 120939999
(2R,3S)-N-[2-(2-fluorophenyl)ethyl]-2-methylmorpholine-3-carboxamide
CID 120919267

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-methylmorpholine-3-carboxamide;dihydrochloride?
The IUPAC name of (2R,3S)-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-methylmorpholine-3-carboxamide;dihydrochloride (CID 120938228) is (2R,3S)-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-methylmorpholine-3-carboxamide;dihydrochloride.
What is the SMILES notation for (2R,3S)-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-methylmorpholine-3-carboxamide;dihydrochloride?
The canonical SMILES for (2R,3S)-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-methylmorpholine-3-carboxamide;dihydrochloride is C[C@H]1OCCN[C@@H]1C(=O)NCc1ccccc1CN(C)C.Cl.Cl.
What is the InChIKey of (2R,3S)-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-methylmorpholine-3-carboxamide;dihydrochloride?
The InChIKey is OIUUHLOTVMVEPW-KJWOGLQMSA-N. The full InChI is InChI=1S/C16H25N3O2.2ClH/c1-12-15(17-8-9-21-12)16(20)18-10-13-6-4-5-7-14(13)11-19(2)3;;/h4-7,12,15,17H,8-11H2,1-3H3,(H,18,20);2*1H/t12-,15+;;/m1../s1.
What are the key properties of (2R,3S)-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-methylmorpholine-3-carboxamide;dihydrochloride?
(2R,3S)-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-methylmorpholine-3-carboxamide;dihydrochloride has a molecular weight of 364.32 g/mol, XLogP of 1.58, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-methylmorpholine-3-carboxamide;dihydrochloride is sourced from PubChem (CID 120938228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).