(2R,3S)-N-ethyl-2-methyl-N-(2-phenylethyl)morpholine-3-carboxamide;hydrochloride

C16H25ClN2O2 — CID 120926011

IUPAC(2R,3S)-N-ethyl-2-methyl-N-(2-phenylethyl)morpholine-3-carboxamide;hydrochloride
SMILESCCN(CCc1ccccc1)C(=O)[C@H]1NCCO[C@@H]1C.Cl
InChIInChI=1S/C16H24N2O2.ClH/c1-3-18(11-9-14-7-5-4-6-8-14)16(19)15-13(2)20-12-10-17-15;/h4-8,13,15,17H,3,9-12H2,1-2H3;1H/t13-,15+;/m1./s1
InChIKeyJISAJRIARYUUFD-PBCQUBLHSA-N
MW312.84 g/mol
LogP1.88
Rot. Bonds5

About (2R,3S)-N-ethyl-2-methyl-N-(2-phenylethyl)morpholine-3-carboxamide;hydrochloride

(2R,3S)-N-ethyl-2-methyl-N-(2-phenylethyl)morpholine-3-carboxamide;hydrochloride (PubChem CID 120926011) has the molecular formula C16H25ClN2O2 and a molecular weight of 312.84 g/mol. Its IUPAC name is (2R,3S)-N-ethyl-2-methyl-N-(2-phenylethyl)morpholine-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2R,3S)-N-ethyl-2-methyl-N-(2-phenylethyl)morpholine-3-carboxamide;hydrochloride
PubChem CID120926011
Molecular FormulaC16H25ClN2O2
Molecular Weight312.84 g/mol
Exact Mass312.16
IUPAC Name(2R,3S)-N-ethyl-2-methyl-N-(2-phenylethyl)morpholine-3-carboxamide;hydrochloride
SMILESCCN(CCc1ccccc1)C(=O)[C@H]1NCCO[C@@H]1C.Cl
InChIInChI=1S/C16H24N2O2.ClH/c1-3-18(11-9-14-7-5-4-6-8-14)16(19)15-13(2)20-12-10-17-15;/h4-8,13,15,17H,3,9-12H2,1-2H3;1H/t13-,15+;/m1./s1
InChIKeyJISAJRIARYUUFD-PBCQUBLHSA-N
XLogP1.88
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.84
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,3S)-N-benzyl-N-(2,2-dimethylpropyl)-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120931120
(2R,3S)-N-[(2-chlorophenyl)methyl]-N-ethyl-2-methylmorpholine-3-carboxamide
CID 120924212
(2R,3S)-N-(2-ethoxyethyl)-N-ethyl-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120928414
(2R,3S)-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-ethyl-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120918609
(2R,3S)-N-benzyl-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120916874
(2R,3S)-N,2-dimethyl-N-(2-phenoxyethyl)morpholine-3-carboxamide;hydrochloride
CID 120918304
(2R,3S)-N-ethyl-2-methyl-N-(oxolan-2-ylmethyl)morpholine-3-carboxamide;hydrochloride
CID 120927935
(2R,3S)-N-ethyl-2-methyl-N-(oxolan-2-ylmethyl)morpholine-3-carboxamide
CID 120927936
(2R,3S)-N,2-dimethyl-N-(2-naphthalen-1-ylethyl)morpholine-3-carboxamide
CID 120928944
(2R,3S)-N,2-dimethyl-N-[(4-methylphenyl)methyl]morpholine-3-carboxamide;hydrochloride
CID 120918446
(2R,3S)-N-(1-benzyl-2-methylpiperidin-4-yl)-N,2-dimethylmorpholine-3-carboxamide
CID 120941555
(2R,3S)-N,2-dimethyl-N-[(3-methylphenyl)methyl]morpholine-3-carboxamide
CID 120923405

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-N-ethyl-2-methyl-N-(2-phenylethyl)morpholine-3-carboxamide;hydrochloride?
The IUPAC name of (2R,3S)-N-ethyl-2-methyl-N-(2-phenylethyl)morpholine-3-carboxamide;hydrochloride (CID 120926011) is (2R,3S)-N-ethyl-2-methyl-N-(2-phenylethyl)morpholine-3-carboxamide;hydrochloride.
What is the SMILES notation for (2R,3S)-N-ethyl-2-methyl-N-(2-phenylethyl)morpholine-3-carboxamide;hydrochloride?
The canonical SMILES for (2R,3S)-N-ethyl-2-methyl-N-(2-phenylethyl)morpholine-3-carboxamide;hydrochloride is CCN(CCc1ccccc1)C(=O)[C@H]1NCCO[C@@H]1C.Cl.
What is the InChIKey of (2R,3S)-N-ethyl-2-methyl-N-(2-phenylethyl)morpholine-3-carboxamide;hydrochloride?
The InChIKey is JISAJRIARYUUFD-PBCQUBLHSA-N. The full InChI is InChI=1S/C16H24N2O2.ClH/c1-3-18(11-9-14-7-5-4-6-8-14)16(19)15-13(2)20-12-10-17-15;/h4-8,13,15,17H,3,9-12H2,1-2H3;1H/t13-,15+;/m1./s1.
What are the key properties of (2R,3S)-N-ethyl-2-methyl-N-(2-phenylethyl)morpholine-3-carboxamide;hydrochloride?
(2R,3S)-N-ethyl-2-methyl-N-(2-phenylethyl)morpholine-3-carboxamide;hydrochloride has a molecular weight of 312.84 g/mol, XLogP of 1.88, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-N-ethyl-2-methyl-N-(2-phenylethyl)morpholine-3-carboxamide;hydrochloride is sourced from PubChem (CID 120926011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).