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

C14H29ClN2O2 — CID 120937480

IUPAC(2R,3S)-N-(2,2-diethylbutyl)-2-methylmorpholine-3-carboxamide;hydrochloride
SMILESCCC(CC)(CC)CNC(=O)[C@H]1NCCO[C@@H]1C.Cl
InChIInChI=1S/C14H28N2O2.ClH/c1-5-14(6-2,7-3)10-16-13(17)12-11(4)18-9-8-15-12;/h11-12,15H,5-10H2,1-4H3,(H,16,17);1H/t11-,12+;/m1./s1
InChIKeyLTYUHFXOPJPFFF-LYCTWNKOSA-N
MW292.85 g/mol
LogP2.12
Rot. Bonds6

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

(2R,3S)-N-(2,2-diethylbutyl)-2-methylmorpholine-3-carboxamide;hydrochloride (PubChem CID 120937480) has the molecular formula C14H29ClN2O2 and a molecular weight of 292.85 g/mol. Its IUPAC name is (2R,3S)-N-(2,2-diethylbutyl)-2-methylmorpholine-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2R,3S)-N-(2,2-diethylbutyl)-2-methylmorpholine-3-carboxamide;hydrochloride
PubChem CID120937480
Molecular FormulaC14H29ClN2O2
Molecular Weight292.85 g/mol
Exact Mass292.19
IUPAC Name(2R,3S)-N-(2,2-diethylbutyl)-2-methylmorpholine-3-carboxamide;hydrochloride
SMILESCCC(CC)(CC)CNC(=O)[C@H]1NCCO[C@@H]1C.Cl
InChIInChI=1S/C14H28N2O2.ClH/c1-5-14(6-2,7-3)10-16-13(17)12-11(4)18-9-8-15-12;/h11-12,15H,5-10H2,1-4H3,(H,16,17);1H/t11-,12+;/m1./s1
InChIKeyLTYUHFXOPJPFFF-LYCTWNKOSA-N
XLogP2.12
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.85
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-2-methylmorpholine-3-carboxamide
CID 131071311
(2R,3S)-N-(2-aminoethyl)-2-methylmorpholine-3-carboxamide;hydrochloride
CID 131186208
(2R,3S)-N-[2-(ethylsulfonylamino)ethyl]-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120924338
(2R,3S)-2-methyl-N-[2-methyl-2-(2-methylphenyl)propyl]morpholine-3-carboxamide;hydrochloride
CID 120928659
(2R,3S)-2-methyl-N-[2-oxo-2-(propylamino)ethyl]morpholine-3-carboxamide
CID 120919423
N,2-dimethylmorpholine-3-carboxamide
CID 131024914
(2R,3S)-N-(2-aminopropyl)-2-methylmorpholine-3-carboxamide
CID 131110844
(2R,3S)-N-[2-(cyclopropylamino)-2-oxoethyl]-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120919792
(2R,3S)-2-methyl-N-[(1-propylcyclopropyl)methyl]morpholine-3-carboxamide
CID 120937497
(2R,3S)-N-benzyl-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120916874
(2R,3S)-N-[3-(tert-butylamino)-3-oxopropyl]-2-methylmorpholine-3-carboxamide
CID 120931039
(2R,3S)-2-methyl-N-[(1-propan-2-ylcyclopropyl)methyl]morpholine-3-carboxamide;hydrochloride
CID 120934792

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-N-(2,2-diethylbutyl)-2-methylmorpholine-3-carboxamide;hydrochloride?
The IUPAC name of (2R,3S)-N-(2,2-diethylbutyl)-2-methylmorpholine-3-carboxamide;hydrochloride (CID 120937480) is (2R,3S)-N-(2,2-diethylbutyl)-2-methylmorpholine-3-carboxamide;hydrochloride.
What is the SMILES notation for (2R,3S)-N-(2,2-diethylbutyl)-2-methylmorpholine-3-carboxamide;hydrochloride?
The canonical SMILES for (2R,3S)-N-(2,2-diethylbutyl)-2-methylmorpholine-3-carboxamide;hydrochloride is CCC(CC)(CC)CNC(=O)[C@H]1NCCO[C@@H]1C.Cl.
What is the InChIKey of (2R,3S)-N-(2,2-diethylbutyl)-2-methylmorpholine-3-carboxamide;hydrochloride?
The InChIKey is LTYUHFXOPJPFFF-LYCTWNKOSA-N. The full InChI is InChI=1S/C14H28N2O2.ClH/c1-5-14(6-2,7-3)10-16-13(17)12-11(4)18-9-8-15-12;/h11-12,15H,5-10H2,1-4H3,(H,16,17);1H/t11-,12+;/m1./s1.
What are the key properties of (2R,3S)-N-(2,2-diethylbutyl)-2-methylmorpholine-3-carboxamide;hydrochloride?
(2R,3S)-N-(2,2-diethylbutyl)-2-methylmorpholine-3-carboxamide;hydrochloride has a molecular weight of 292.85 g/mol, XLogP of 2.12, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-N-(2,2-diethylbutyl)-2-methylmorpholine-3-carboxamide;hydrochloride is sourced from PubChem (CID 120937480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).