(2R,3S)-N-[2-(4-chlorophenoxy)propyl]-2-methylmorpholine-3-carboxamide;hydrochloride

C15H22Cl2N2O3 — CID 120935200

IUPAC(2R,3S)-N-[2-(4-chlorophenoxy)propyl]-2-methylmorpholine-3-carboxamide;hydrochloride
SMILESCC(CNC(=O)[C@H]1NCCO[C@@H]1C)Oc1ccc(Cl)cc1.Cl
InChIInChI=1S/C15H21ClN2O3.ClH/c1-10(21-13-5-3-12(16)4-6-13)9-18-15(19)14-11(2)20-8-7-17-14;/h3-6,10-11,14,17H,7-9H2,1-2H3,(H,18,19);1H/t10?,11-,14+;/m1./s1
InChIKeyPVPCNVMEXGGBSW-FHBCOURSSA-N
MW349.26 g/mol
LogP2.02
Rot. Bonds5

About (2R,3S)-N-[2-(4-chlorophenoxy)propyl]-2-methylmorpholine-3-carboxamide;hydrochloride

(2R,3S)-N-[2-(4-chlorophenoxy)propyl]-2-methylmorpholine-3-carboxamide;hydrochloride (PubChem CID 120935200) has the molecular formula C15H22Cl2N2O3 and a molecular weight of 349.26 g/mol. Its IUPAC name is (2R,3S)-N-[2-(4-chlorophenoxy)propyl]-2-methylmorpholine-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2R,3S)-N-[2-(4-chlorophenoxy)propyl]-2-methylmorpholine-3-carboxamide;hydrochloride
PubChem CID120935200
Molecular FormulaC15H22Cl2N2O3
Molecular Weight349.26 g/mol
Exact Mass348.10
IUPAC Name(2R,3S)-N-[2-(4-chlorophenoxy)propyl]-2-methylmorpholine-3-carboxamide;hydrochloride
SMILESCC(CNC(=O)[C@H]1NCCO[C@@H]1C)Oc1ccc(Cl)cc1.Cl
InChIInChI=1S/C15H21ClN2O3.ClH/c1-10(21-13-5-3-12(16)4-6-13)9-18-15(19)14-11(2)20-8-7-17-14;/h3-6,10-11,14,17H,7-9H2,1-2H3,(H,18,19);1H/t10?,11-,14+;/m1./s1
InChIKeyPVPCNVMEXGGBSW-FHBCOURSSA-N
XLogP2.02
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.26
LogP ≤ 52.02
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)-2-methyl-N-[2-(3-methylphenoxy)propyl]morpholine-3-carboxamide;hydrochloride
CID 120935240
(2R,3S)-N-(4-butan-2-yloxyphenyl)-2-methylmorpholine-3-carboxamide
CID 120926448
(2R,3S)-N-[2-hydroxy-2-(3-propan-2-yloxyphenyl)ethyl]-2-methylmorpholine-3-carboxamide
CID 120933677
(2R,3S)-N-[[1-(4-chlorophenyl)cyclobutyl]methyl]-2-methylmorpholine-3-carboxamide
CID 120930587
(2R,3S)-N-[2-(4-methoxyphenoxy)ethyl]-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120919950
(2R,3S)-N-[2-(4-tert-butylphenoxy)ethyl]-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120919449
(2R,3S)-N-(2-fluoro-4-propan-2-yloxyphenyl)-2-methylmorpholine-3-carboxamide
CID 120928774
N-[2-(3-chlorophenoxy)propyl]morpholine-2-carboxamide;hydrochloride
CID 119807139
(2R,3S)-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2-methylmorpholine-3-carboxamide
CID 120937874
(2R,3S)-N-benzyl-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120916874
(2R,3S)-N-(2-aminoethyl)-2-methylmorpholine-3-carboxamide;hydrochloride
CID 131186208

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-N-[2-(4-chlorophenoxy)propyl]-2-methylmorpholine-3-carboxamide;hydrochloride?
The IUPAC name of (2R,3S)-N-[2-(4-chlorophenoxy)propyl]-2-methylmorpholine-3-carboxamide;hydrochloride (CID 120935200) is (2R,3S)-N-[2-(4-chlorophenoxy)propyl]-2-methylmorpholine-3-carboxamide;hydrochloride.
What is the SMILES notation for (2R,3S)-N-[2-(4-chlorophenoxy)propyl]-2-methylmorpholine-3-carboxamide;hydrochloride?
The canonical SMILES for (2R,3S)-N-[2-(4-chlorophenoxy)propyl]-2-methylmorpholine-3-carboxamide;hydrochloride is CC(CNC(=O)[C@H]1NCCO[C@@H]1C)Oc1ccc(Cl)cc1.Cl.
What is the InChIKey of (2R,3S)-N-[2-(4-chlorophenoxy)propyl]-2-methylmorpholine-3-carboxamide;hydrochloride?
The InChIKey is PVPCNVMEXGGBSW-FHBCOURSSA-N. The full InChI is InChI=1S/C15H21ClN2O3.ClH/c1-10(21-13-5-3-12(16)4-6-13)9-18-15(19)14-11(2)20-8-7-17-14;/h3-6,10-11,14,17H,7-9H2,1-2H3,(H,18,19);1H/t10?,11-,14+;/m1./s1.
What are the key properties of (2R,3S)-N-[2-(4-chlorophenoxy)propyl]-2-methylmorpholine-3-carboxamide;hydrochloride?
(2R,3S)-N-[2-(4-chlorophenoxy)propyl]-2-methylmorpholine-3-carboxamide;hydrochloride has a molecular weight of 349.26 g/mol, XLogP of 2.02, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-N-[2-(4-chlorophenoxy)propyl]-2-methylmorpholine-3-carboxamide;hydrochloride is sourced from PubChem (CID 120935200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).