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

C16H33Cl2N3O2 — CID 120939169

IUPAC(2R,3S)-N-[2-cyclohexyl-2-(dimethylamino)ethyl]-2-methylmorpholine-3-carboxamide;dihydrochloride
SMILESC[C@H]1OCCN[C@@H]1C(=O)NCC(C1CCCCC1)N(C)C.Cl.Cl
InChIInChI=1S/C16H31N3O2.2ClH/c1-12-15(17-9-10-21-12)16(20)18-11-14(19(2)3)13-7-5-4-6-8-13;;/h12-15,17H,4-11H2,1-3H3,(H,18,20);2*1H/t12-,14?,15+;;/m1../s1
InChIKeyQYPVKDBOBYEQQQ-LJQOFJAASA-N
MW370.37 g/mol
LogP1.83
Rot. Bonds5

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

(2R,3S)-N-[2-cyclohexyl-2-(dimethylamino)ethyl]-2-methylmorpholine-3-carboxamide;dihydrochloride (PubChem CID 120939169) has the molecular formula C16H33Cl2N3O2 and a molecular weight of 370.37 g/mol. Its IUPAC name is (2R,3S)-N-[2-cyclohexyl-2-(dimethylamino)ethyl]-2-methylmorpholine-3-carboxamide;dihydrochloride.

Molecular Properties

Compound Name(2R,3S)-N-[2-cyclohexyl-2-(dimethylamino)ethyl]-2-methylmorpholine-3-carboxamide;dihydrochloride
PubChem CID120939169
Molecular FormulaC16H33Cl2N3O2
Molecular Weight370.37 g/mol
Exact Mass369.19
IUPAC Name(2R,3S)-N-[2-cyclohexyl-2-(dimethylamino)ethyl]-2-methylmorpholine-3-carboxamide;dihydrochloride
SMILESC[C@H]1OCCN[C@@H]1C(=O)NCC(C1CCCCC1)N(C)C.Cl.Cl
InChIInChI=1S/C16H31N3O2.2ClH/c1-12-15(17-9-10-21-12)16(20)18-11-14(19(2)3)13-7-5-4-6-8-13;;/h12-15,17H,4-11H2,1-3H3,(H,18,20);2*1H/t12-,14?,15+;;/m1../s1
InChIKeyQYPVKDBOBYEQQQ-LJQOFJAASA-N
XLogP1.83
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.37
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,3S)-N-(3-cyclohexylbutan-2-yl)-2-methylmorpholine-3-carboxamide
CID 120935794
N-[2-cyclohexyl-2-(dimethylamino)ethyl]pyrrolidine-2-carboxamide;dihydrochloride
CID 119850522
(2R,3S)-N-[2-(cyclohexylamino)-2-oxoethyl]-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120929051
(2R,3S)-N-[2-[cyclohexyl(methyl)amino]ethyl]-2-methylmorpholine-3-carboxamide
CID 120939245
(2R,3S)-N-(1-cyclohexylethyl)-2-methylmorpholine-3-carboxamide
CID 120921594
(2R,3S)-N-(2-aminopropyl)-2-methylmorpholine-3-carboxamide
CID 131110844
(2R,3S)-N-[3-(cyclohexylamino)-3-oxopropyl]-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120926749
(2R,3S)-N-cyclopentyl-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120917508
N-ethyl-2-methylmorpholine-3-carboxamide
CID 131071311
(2S)-N-[2-cyclopropyl-2-(dimethylamino)ethyl]piperidine-2-carboxamide;dihydrochloride
CID 119859201
(2R,3S)-N-[2-(cyclopropylamino)-2-oxoethyl]-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120919792
(2R,3S)-N-(2-aminoethyl)-2-methylmorpholine-3-carboxamide;hydrochloride
CID 131186208

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-N-[2-cyclohexyl-2-(dimethylamino)ethyl]-2-methylmorpholine-3-carboxamide;dihydrochloride?
The IUPAC name of (2R,3S)-N-[2-cyclohexyl-2-(dimethylamino)ethyl]-2-methylmorpholine-3-carboxamide;dihydrochloride (CID 120939169) is (2R,3S)-N-[2-cyclohexyl-2-(dimethylamino)ethyl]-2-methylmorpholine-3-carboxamide;dihydrochloride.
What is the SMILES notation for (2R,3S)-N-[2-cyclohexyl-2-(dimethylamino)ethyl]-2-methylmorpholine-3-carboxamide;dihydrochloride?
The canonical SMILES for (2R,3S)-N-[2-cyclohexyl-2-(dimethylamino)ethyl]-2-methylmorpholine-3-carboxamide;dihydrochloride is C[C@H]1OCCN[C@@H]1C(=O)NCC(C1CCCCC1)N(C)C.Cl.Cl.
What is the InChIKey of (2R,3S)-N-[2-cyclohexyl-2-(dimethylamino)ethyl]-2-methylmorpholine-3-carboxamide;dihydrochloride?
The InChIKey is QYPVKDBOBYEQQQ-LJQOFJAASA-N. The full InChI is InChI=1S/C16H31N3O2.2ClH/c1-12-15(17-9-10-21-12)16(20)18-11-14(19(2)3)13-7-5-4-6-8-13;;/h12-15,17H,4-11H2,1-3H3,(H,18,20);2*1H/t12-,14?,15+;;/m1../s1.
What are the key properties of (2R,3S)-N-[2-cyclohexyl-2-(dimethylamino)ethyl]-2-methylmorpholine-3-carboxamide;dihydrochloride?
(2R,3S)-N-[2-cyclohexyl-2-(dimethylamino)ethyl]-2-methylmorpholine-3-carboxamide;dihydrochloride has a molecular weight of 370.37 g/mol, XLogP of 1.83, 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-cyclohexyl-2-(dimethylamino)ethyl]-2-methylmorpholine-3-carboxamide;dihydrochloride is sourced from PubChem (CID 120939169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).