(2R,3S)-N-[(2-chlorophenyl)methyl]-N-ethyl-2-methylmorpholine-3-carboxamide

C15H21ClN2O2 — CID 120924212

IUPAC(2R,3S)-N-[(2-chlorophenyl)methyl]-N-ethyl-2-methylmorpholine-3-carboxamide
SMILESCCN(Cc1ccccc1Cl)C(=O)[C@H]1NCCO[C@@H]1C
InChIInChI=1S/C15H21ClN2O2/c1-3-18(10-12-6-4-5-7-13(12)16)15(19)14-11(2)20-9-8-17-14/h4-7,11,14,17H,3,8-10H2,1-2H3/t11-,14+/m1/s1
InChIKeyJQWHPXVACNMGPP-RISCZKNCSA-N
MW296.80 g/mol
LogP2.07
Rot. Bonds4

About (2R,3S)-N-[(2-chlorophenyl)methyl]-N-ethyl-2-methylmorpholine-3-carboxamide

(2R,3S)-N-[(2-chlorophenyl)methyl]-N-ethyl-2-methylmorpholine-3-carboxamide (PubChem CID 120924212) has the molecular formula C15H21ClN2O2 and a molecular weight of 296.80 g/mol. Its IUPAC name is (2R,3S)-N-[(2-chlorophenyl)methyl]-N-ethyl-2-methylmorpholine-3-carboxamide.

Molecular Properties

Compound Name(2R,3S)-N-[(2-chlorophenyl)methyl]-N-ethyl-2-methylmorpholine-3-carboxamide
PubChem CID120924212
Molecular FormulaC15H21ClN2O2
Molecular Weight296.80 g/mol
Exact Mass296.13
IUPAC Name(2R,3S)-N-[(2-chlorophenyl)methyl]-N-ethyl-2-methylmorpholine-3-carboxamide
SMILESCCN(Cc1ccccc1Cl)C(=O)[C@H]1NCCO[C@@H]1C
InChIInChI=1S/C15H21ClN2O2/c1-3-18(10-12-6-4-5-7-13(12)16)15(19)14-11(2)20-9-8-17-14/h4-7,11,14,17H,3,8-10H2,1-2H3/t11-,14+/m1/s1
InChIKeyJQWHPXVACNMGPP-RISCZKNCSA-N
XLogP2.07
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.80
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,3S)-N-ethyl-2-methyl-N-(2-phenylethyl)morpholine-3-carboxamide;hydrochloride
CID 120926011
(2R,3S)-N-[2-(2-chlorophenyl)ethyl]-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120921534
(2R,3S)-N-[(2-fluorophenyl)methyl]-N,2-dimethylmorpholine-3-carboxamide
CID 120918482
(2R,3S)-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-ethyl-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120918609
(2R,3S)-N-[(2-bromophenyl)methyl]-N,2-dimethylmorpholine-3-carboxamide;hydrochloride
CID 120918331
(2R,3S)-N-benzyl-N-(2,2-dimethylpropyl)-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120931120
(2R,4S)-N-[(2-chlorophenyl)methyl]-N-ethyl-4-hydroxypyrrolidine-2-carboxamide
CID 93370537
(2S,4S)-N-[(2-chlorophenyl)methyl]-N-ethyl-4-hydroxypyrrolidine-2-carboxamide
CID 93370536
(2R,3S)-N,2-dimethyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]morpholine-3-carboxamide;dihydrochloride
CID 120938273
(2R,3S)-N-ethyl-2-methyl-N-(oxolan-2-ylmethyl)morpholine-3-carboxamide
CID 120927936
(2R,3S)-N-(2-ethoxyethyl)-N-ethyl-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120928414
(2R,3S)-N-[2-(2-ethylanilino)-2-oxoethyl]-N,2-dimethylmorpholine-3-carboxamide;hydrochloride
CID 120918817

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-N-[(2-chlorophenyl)methyl]-N-ethyl-2-methylmorpholine-3-carboxamide?
The IUPAC name of (2R,3S)-N-[(2-chlorophenyl)methyl]-N-ethyl-2-methylmorpholine-3-carboxamide (CID 120924212) is (2R,3S)-N-[(2-chlorophenyl)methyl]-N-ethyl-2-methylmorpholine-3-carboxamide.
What is the SMILES notation for (2R,3S)-N-[(2-chlorophenyl)methyl]-N-ethyl-2-methylmorpholine-3-carboxamide?
The canonical SMILES for (2R,3S)-N-[(2-chlorophenyl)methyl]-N-ethyl-2-methylmorpholine-3-carboxamide is CCN(Cc1ccccc1Cl)C(=O)[C@H]1NCCO[C@@H]1C.
What is the InChIKey of (2R,3S)-N-[(2-chlorophenyl)methyl]-N-ethyl-2-methylmorpholine-3-carboxamide?
The InChIKey is JQWHPXVACNMGPP-RISCZKNCSA-N. The full InChI is InChI=1S/C15H21ClN2O2/c1-3-18(10-12-6-4-5-7-13(12)16)15(19)14-11(2)20-9-8-17-14/h4-7,11,14,17H,3,8-10H2,1-2H3/t11-,14+/m1/s1.
What are the key properties of (2R,3S)-N-[(2-chlorophenyl)methyl]-N-ethyl-2-methylmorpholine-3-carboxamide?
(2R,3S)-N-[(2-chlorophenyl)methyl]-N-ethyl-2-methylmorpholine-3-carboxamide has a molecular weight of 296.80 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-N-[(2-chlorophenyl)methyl]-N-ethyl-2-methylmorpholine-3-carboxamide is sourced from PubChem (CID 120924212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).