(2R,3S)-2-methyl-N-[2-(3-methylphenoxy)propyl]morpholine-3-carboxamide;hydrochloride

C16H25ClN2O3 — CID 120935240

IUPAC(2R,3S)-2-methyl-N-[2-(3-methylphenoxy)propyl]morpholine-3-carboxamide;hydrochloride
SMILESCc1cccc(OC(C)CNC(=O)[C@H]2NCCO[C@@H]2C)c1.Cl
InChIInChI=1S/C16H24N2O3.ClH/c1-11-5-4-6-14(9-11)21-12(2)10-18-16(19)15-13(3)20-8-7-17-15;/h4-6,9,12-13,15,17H,7-8,10H2,1-3H3,(H,18,19);1H/t12?,13-,15+;/m1./s1
InChIKeySIBRECZOWLJCEI-DFOWJMGJSA-N
MW328.84 g/mol
LogP1.68
Rot. Bonds5

About (2R,3S)-2-methyl-N-[2-(3-methylphenoxy)propyl]morpholine-3-carboxamide;hydrochloride

(2R,3S)-2-methyl-N-[2-(3-methylphenoxy)propyl]morpholine-3-carboxamide;hydrochloride (PubChem CID 120935240) has the molecular formula C16H25ClN2O3 and a molecular weight of 328.84 g/mol. Its IUPAC name is (2R,3S)-2-methyl-N-[2-(3-methylphenoxy)propyl]morpholine-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2R,3S)-2-methyl-N-[2-(3-methylphenoxy)propyl]morpholine-3-carboxamide;hydrochloride
PubChem CID120935240
Molecular FormulaC16H25ClN2O3
Molecular Weight328.84 g/mol
Exact Mass328.16
IUPAC Name(2R,3S)-2-methyl-N-[2-(3-methylphenoxy)propyl]morpholine-3-carboxamide;hydrochloride
SMILESCc1cccc(OC(C)CNC(=O)[C@H]2NCCO[C@@H]2C)c1.Cl
InChIInChI=1S/C16H24N2O3.ClH/c1-11-5-4-6-14(9-11)21-12(2)10-18-16(19)15-13(3)20-8-7-17-15;/h4-6,9,12-13,15,17H,7-8,10H2,1-3H3,(H,18,19);1H/t12?,13-,15+;/m1./s1
InChIKeySIBRECZOWLJCEI-DFOWJMGJSA-N
XLogP1.68
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.84
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,3S)-2-methyl-N-[2-(4-methylphenoxy)propyl]morpholine-3-carboxamide
CID 120924570
(2R,3S)-N-[2-(4-chlorophenoxy)propyl]-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120935200
N-[2-(3-methylphenoxy)propyl]morpholine-2-carboxamide
CID 119804946
(2R,3S)-N-[2-hydroxy-2-(3-propan-2-yloxyphenyl)ethyl]-2-methylmorpholine-3-carboxamide
CID 120933677
N-[2-(3-methylphenoxy)propyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119335744
(2R,3S)-N-[2-(3,5-dimethylphenoxy)ethyl]-2-methylmorpholine-3-carboxamide
CID 120927464
(2R,3S)-N-(4-butan-2-yloxyphenyl)-2-methylmorpholine-3-carboxamide
CID 120926448
(2R,3S)-N-[2-(2,6-dichlorophenyl)-2-hydroxyethyl]-2-methylmorpholine-3-carboxamide
CID 120934682
4-[2-(3-methylphenoxy)propylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120673900
(2R,3S)-N-(2-aminopropyl)-2-methylmorpholine-3-carboxamide
CID 131110844
(2R,3S)-N-[2-hydroxy-2-(2-methylphenyl)ethyl]-2-methylmorpholine-3-carboxamide
CID 120932523
(2R,3S)-N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2-methylmorpholine-3-carboxamide;dihydrochloride
CID 120937953

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2-methyl-N-[2-(3-methylphenoxy)propyl]morpholine-3-carboxamide;hydrochloride?
The IUPAC name of (2R,3S)-2-methyl-N-[2-(3-methylphenoxy)propyl]morpholine-3-carboxamide;hydrochloride (CID 120935240) is (2R,3S)-2-methyl-N-[2-(3-methylphenoxy)propyl]morpholine-3-carboxamide;hydrochloride.
What is the SMILES notation for (2R,3S)-2-methyl-N-[2-(3-methylphenoxy)propyl]morpholine-3-carboxamide;hydrochloride?
The canonical SMILES for (2R,3S)-2-methyl-N-[2-(3-methylphenoxy)propyl]morpholine-3-carboxamide;hydrochloride is Cc1cccc(OC(C)CNC(=O)[C@H]2NCCO[C@@H]2C)c1.Cl.
What is the InChIKey of (2R,3S)-2-methyl-N-[2-(3-methylphenoxy)propyl]morpholine-3-carboxamide;hydrochloride?
The InChIKey is SIBRECZOWLJCEI-DFOWJMGJSA-N. The full InChI is InChI=1S/C16H24N2O3.ClH/c1-11-5-4-6-14(9-11)21-12(2)10-18-16(19)15-13(3)20-8-7-17-15;/h4-6,9,12-13,15,17H,7-8,10H2,1-3H3,(H,18,19);1H/t12?,13-,15+;/m1./s1.
What are the key properties of (2R,3S)-2-methyl-N-[2-(3-methylphenoxy)propyl]morpholine-3-carboxamide;hydrochloride?
(2R,3S)-2-methyl-N-[2-(3-methylphenoxy)propyl]morpholine-3-carboxamide;hydrochloride has a molecular weight of 328.84 g/mol, XLogP of 1.68, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2-methyl-N-[2-(3-methylphenoxy)propyl]morpholine-3-carboxamide;hydrochloride is sourced from PubChem (CID 120935240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).