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

C12H25ClN2O3 — CID 120928414

IUPAC(2R,3S)-N-(2-ethoxyethyl)-N-ethyl-2-methylmorpholine-3-carboxamide;hydrochloride
SMILESCCOCCN(CC)C(=O)[C@H]1NCCO[C@@H]1C.Cl
InChIInChI=1S/C12H24N2O3.ClH/c1-4-14(7-9-16-5-2)12(15)11-10(3)17-8-6-13-11;/h10-11,13H,4-9H2,1-3H3;1H/t10-,11+;/m1./s1
InChIKeyJILSGHANSAKMPU-DHXVBOOMSA-N
MW280.80 g/mol
LogP0.67
Rot. Bonds6

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

(2R,3S)-N-(2-ethoxyethyl)-N-ethyl-2-methylmorpholine-3-carboxamide;hydrochloride (PubChem CID 120928414) has the molecular formula C12H25ClN2O3 and a molecular weight of 280.80 g/mol. Its IUPAC name is (2R,3S)-N-(2-ethoxyethyl)-N-ethyl-2-methylmorpholine-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2R,3S)-N-(2-ethoxyethyl)-N-ethyl-2-methylmorpholine-3-carboxamide;hydrochloride
PubChem CID120928414
Molecular FormulaC12H25ClN2O3
Molecular Weight280.80 g/mol
Exact Mass280.16
IUPAC Name(2R,3S)-N-(2-ethoxyethyl)-N-ethyl-2-methylmorpholine-3-carboxamide;hydrochloride
SMILESCCOCCN(CC)C(=O)[C@H]1NCCO[C@@H]1C.Cl
InChIInChI=1S/C12H24N2O3.ClH/c1-4-14(7-9-16-5-2)12(15)11-10(3)17-8-6-13-11;/h10-11,13H,4-9H2,1-3H3;1H/t10-,11+;/m1./s1
InChIKeyJILSGHANSAKMPU-DHXVBOOMSA-N
XLogP0.67
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.80
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2R,3S)-N-ethyl-2-methyl-N-(oxolan-2-ylmethyl)morpholine-3-carboxamide;hydrochloride
CID 120927935
(2R,3S)-N-ethyl-2-methyl-N-(2-phenylethyl)morpholine-3-carboxamide;hydrochloride
CID 120926011
(2R,3S)-N-ethyl-2-methyl-N-(oxolan-2-ylmethyl)morpholine-3-carboxamide
CID 120927936
N,N-bis(2-ethoxyethyl)-3-methylpyrrolidine-2-carboxamide
CID 102779936
(2R,3S)-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-ethyl-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120918609
ethyl (2R,3S)-2-methylmorpholine-3-carboxylate
CID 90001541
N-(2-ethoxyethyl)-N-ethylcyclopropanecarboxamide
CID 63717858
(2S)-N-(2-ethoxyethyl)-N-ethylpiperidine-2-carboxamide
CID 103809901
(2R,3S)-N-[(2-chlorophenyl)methyl]-N-ethyl-2-methylmorpholine-3-carboxamide
CID 120924212
N-ethyl-N-(2-methoxyethyl)-3-methylpyrrolidine-2-carboxamide
CID 102779207
(2R,3S)-N,2-dimethyl-N-(2-phenoxyethyl)morpholine-3-carboxamide;hydrochloride
CID 120918304
methyl 2-methylmorpholine-3-carboxylate;hydrochloride
CID 138113042

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-N-(2-ethoxyethyl)-N-ethyl-2-methylmorpholine-3-carboxamide;hydrochloride?
The IUPAC name of (2R,3S)-N-(2-ethoxyethyl)-N-ethyl-2-methylmorpholine-3-carboxamide;hydrochloride (CID 120928414) is (2R,3S)-N-(2-ethoxyethyl)-N-ethyl-2-methylmorpholine-3-carboxamide;hydrochloride.
What is the SMILES notation for (2R,3S)-N-(2-ethoxyethyl)-N-ethyl-2-methylmorpholine-3-carboxamide;hydrochloride?
The canonical SMILES for (2R,3S)-N-(2-ethoxyethyl)-N-ethyl-2-methylmorpholine-3-carboxamide;hydrochloride is CCOCCN(CC)C(=O)[C@H]1NCCO[C@@H]1C.Cl.
What is the InChIKey of (2R,3S)-N-(2-ethoxyethyl)-N-ethyl-2-methylmorpholine-3-carboxamide;hydrochloride?
The InChIKey is JILSGHANSAKMPU-DHXVBOOMSA-N. The full InChI is InChI=1S/C12H24N2O3.ClH/c1-4-14(7-9-16-5-2)12(15)11-10(3)17-8-6-13-11;/h10-11,13H,4-9H2,1-3H3;1H/t10-,11+;/m1./s1.
What are the key properties of (2R,3S)-N-(2-ethoxyethyl)-N-ethyl-2-methylmorpholine-3-carboxamide;hydrochloride?
(2R,3S)-N-(2-ethoxyethyl)-N-ethyl-2-methylmorpholine-3-carboxamide;hydrochloride has a molecular weight of 280.80 g/mol, XLogP of 0.67, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-N-(2-ethoxyethyl)-N-ethyl-2-methylmorpholine-3-carboxamide;hydrochloride is sourced from PubChem (CID 120928414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).