(2R,3S)-N-[2-hydroxy-2-(4-methylphenyl)ethyl]-2-methylmorpholine-3-carboxamide;hydrochloride

C15H23ClN2O3 — CID 120925276

IUPAC(2R,3S)-N-[2-hydroxy-2-(4-methylphenyl)ethyl]-2-methylmorpholine-3-carboxamide;hydrochloride
SMILESCc1ccc(C(O)CNC(=O)[C@H]2NCCO[C@@H]2C)cc1.Cl
InChIInChI=1S/C15H22N2O3.ClH/c1-10-3-5-12(6-4-10)13(18)9-17-15(19)14-11(2)20-8-7-16-14;/h3-6,11,13-14,16,18H,7-9H2,1-2H3,(H,17,19);1H/t11-,13?,14+;/m1./s1
InChIKeyYNUDDRVJWWDOIY-WEVUIEQMSA-N
MW314.81 g/mol
LogP0.94
Rot. Bonds4

About (2R,3S)-N-[2-hydroxy-2-(4-methylphenyl)ethyl]-2-methylmorpholine-3-carboxamide;hydrochloride

(2R,3S)-N-[2-hydroxy-2-(4-methylphenyl)ethyl]-2-methylmorpholine-3-carboxamide;hydrochloride (PubChem CID 120925276) has the molecular formula C15H23ClN2O3 and a molecular weight of 314.81 g/mol. Its IUPAC name is (2R,3S)-N-[2-hydroxy-2-(4-methylphenyl)ethyl]-2-methylmorpholine-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2R,3S)-N-[2-hydroxy-2-(4-methylphenyl)ethyl]-2-methylmorpholine-3-carboxamide;hydrochloride
PubChem CID120925276
Molecular FormulaC15H23ClN2O3
Molecular Weight314.81 g/mol
Exact Mass314.14
IUPAC Name(2R,3S)-N-[2-hydroxy-2-(4-methylphenyl)ethyl]-2-methylmorpholine-3-carboxamide;hydrochloride
SMILESCc1ccc(C(O)CNC(=O)[C@H]2NCCO[C@@H]2C)cc1.Cl
InChIInChI=1S/C15H22N2O3.ClH/c1-10-3-5-12(6-4-10)13(18)9-17-15(19)14-11(2)20-8-7-16-14;/h3-6,11,13-14,16,18H,7-9H2,1-2H3,(H,17,19);1H/t11-,13?,14+;/m1./s1
InChIKeyYNUDDRVJWWDOIY-WEVUIEQMSA-N
XLogP0.94
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.81
LogP ≤ 50.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,3S)-N-(2-hydroxy-2-naphthalen-2-ylethyl)-2-methylmorpholine-3-carboxamide
CID 120922049
(2R,3S)-2-methyl-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]morpholine-3-carboxamide
CID 120939770
(2R,3S)-2-methyl-N-[2-(4-methylphenoxy)propyl]morpholine-3-carboxamide
CID 120924570
(2R,3S)-N-[2-hydroxy-2-(2-methylphenyl)ethyl]-2-methylmorpholine-3-carboxamide
CID 120932523
(2R,3S)-N-[2-(2,6-dichlorophenyl)-2-hydroxyethyl]-2-methylmorpholine-3-carboxamide
CID 120934682
(2R,3S)-N-[2-hydroxy-2-(3-propan-2-yloxyphenyl)ethyl]-2-methylmorpholine-3-carboxamide
CID 120933677
(2R,3S)-N-benzyl-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120916874
(2R,3S)-2-methyl-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]morpholine-3-carboxamide;hydrochloride
CID 120919526
(2R,3S)-2-methyl-N-[2-(3-methylphenoxy)propyl]morpholine-3-carboxamide;hydrochloride
CID 120935240
(2R,3S)-2-methyl-N-[2-(3-methylphenyl)ethyl]morpholine-3-carboxamide;hydrochloride
CID 120927296
(2R,3S)-N-(2-aminopropyl)-2-methylmorpholine-3-carboxamide
CID 131110844
(2R,3S)-N-[(2,4-dimethylphenyl)methyl]-2-methylmorpholine-3-carboxamide
CID 120923132

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-N-[2-hydroxy-2-(4-methylphenyl)ethyl]-2-methylmorpholine-3-carboxamide;hydrochloride?
The IUPAC name of (2R,3S)-N-[2-hydroxy-2-(4-methylphenyl)ethyl]-2-methylmorpholine-3-carboxamide;hydrochloride (CID 120925276) is (2R,3S)-N-[2-hydroxy-2-(4-methylphenyl)ethyl]-2-methylmorpholine-3-carboxamide;hydrochloride.
What is the SMILES notation for (2R,3S)-N-[2-hydroxy-2-(4-methylphenyl)ethyl]-2-methylmorpholine-3-carboxamide;hydrochloride?
The canonical SMILES for (2R,3S)-N-[2-hydroxy-2-(4-methylphenyl)ethyl]-2-methylmorpholine-3-carboxamide;hydrochloride is Cc1ccc(C(O)CNC(=O)[C@H]2NCCO[C@@H]2C)cc1.Cl.
What is the InChIKey of (2R,3S)-N-[2-hydroxy-2-(4-methylphenyl)ethyl]-2-methylmorpholine-3-carboxamide;hydrochloride?
The InChIKey is YNUDDRVJWWDOIY-WEVUIEQMSA-N. The full InChI is InChI=1S/C15H22N2O3.ClH/c1-10-3-5-12(6-4-10)13(18)9-17-15(19)14-11(2)20-8-7-16-14;/h3-6,11,13-14,16,18H,7-9H2,1-2H3,(H,17,19);1H/t11-,13?,14+;/m1./s1.
What are the key properties of (2R,3S)-N-[2-hydroxy-2-(4-methylphenyl)ethyl]-2-methylmorpholine-3-carboxamide;hydrochloride?
(2R,3S)-N-[2-hydroxy-2-(4-methylphenyl)ethyl]-2-methylmorpholine-3-carboxamide;hydrochloride has a molecular weight of 314.81 g/mol, XLogP of 0.94, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-N-[2-hydroxy-2-(4-methylphenyl)ethyl]-2-methylmorpholine-3-carboxamide;hydrochloride is sourced from PubChem (CID 120925276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).