(2R,3S)-N-[(4-methoxyphenyl)methyl]-N,2-dimethylmorpholine-3-carboxamide;hydrochloride

C15H23ClN2O3 — CID 120918260

IUPAC(2R,3S)-N-[(4-methoxyphenyl)methyl]-N,2-dimethylmorpholine-3-carboxamide;hydrochloride
SMILESCOc1ccc(CN(C)C(=O)[C@H]2NCCO[C@@H]2C)cc1.Cl
InChIInChI=1S/C15H22N2O3.ClH/c1-11-14(16-8-9-20-11)15(18)17(2)10-12-4-6-13(19-3)7-5-12;/h4-7,11,14,16H,8-10H2,1-3H3;1H/t11-,14+;/m1./s1
InChIKeyPVSVRJBJKJITBJ-GGMFNZDASA-N
MW314.81 g/mol
LogP1.45
Rot. Bonds4

About (2R,3S)-N-[(4-methoxyphenyl)methyl]-N,2-dimethylmorpholine-3-carboxamide;hydrochloride

(2R,3S)-N-[(4-methoxyphenyl)methyl]-N,2-dimethylmorpholine-3-carboxamide;hydrochloride (PubChem CID 120918260) has the molecular formula C15H23ClN2O3 and a molecular weight of 314.81 g/mol. Its IUPAC name is (2R,3S)-N-[(4-methoxyphenyl)methyl]-N,2-dimethylmorpholine-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2R,3S)-N-[(4-methoxyphenyl)methyl]-N,2-dimethylmorpholine-3-carboxamide;hydrochloride
PubChem CID120918260
Molecular FormulaC15H23ClN2O3
Molecular Weight314.81 g/mol
Exact Mass314.14
IUPAC Name(2R,3S)-N-[(4-methoxyphenyl)methyl]-N,2-dimethylmorpholine-3-carboxamide;hydrochloride
SMILESCOc1ccc(CN(C)C(=O)[C@H]2NCCO[C@@H]2C)cc1.Cl
InChIInChI=1S/C15H22N2O3.ClH/c1-11-14(16-8-9-20-11)15(18)17(2)10-12-4-6-13(19-3)7-5-12;/h4-7,11,14,16H,8-10H2,1-3H3;1H/t11-,14+;/m1./s1
InChIKeyPVSVRJBJKJITBJ-GGMFNZDASA-N
XLogP1.45
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.81
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,3S)-N-[(6-methoxynaphthalen-2-yl)methyl]-N,2-dimethylmorpholine-3-carboxamide;hydrochloride
CID 120919622
(2R,3S)-N,2-dimethyl-N-[(4-methylphenyl)methyl]morpholine-3-carboxamide;hydrochloride
CID 120918446
(2R,3S)-N,2-dimethyl-N-[(4-methylsulfonylphenyl)methyl]morpholine-3-carboxamide
CID 120934519
(2R,3S)-N,2-dimethyl-N-[(3-methylphenyl)methyl]morpholine-3-carboxamide
CID 120923405
(2R,3S)-N-[2-(4-fluorophenoxy)ethyl]-N,2-dimethylmorpholine-3-carboxamide;hydrochloride
CID 120920100
(2R,3S)-N,2-dimethyl-N-[2-(4-methylphenoxy)ethyl]morpholine-3-carboxamide;hydrochloride
CID 120920116
(2R,3S)-N-[(4,5-dimethoxy-2-methylsulfanylphenyl)methyl]-N,2-dimethylmorpholine-3-carboxamide;hydrochloride
CID 120934675
(2R,3S)-N,2-dimethyl-N-(2-phenoxyethyl)morpholine-3-carboxamide;hydrochloride
CID 120918304
(2R,3S)-N-[(2-fluorophenyl)methyl]-N,2-dimethylmorpholine-3-carboxamide
CID 120918482
(2R,3S)-N-[2-(4-methoxyphenoxy)ethyl]-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120919950
(2R,3S)-N-[(2,4-difluorophenyl)methyl]-N,2-dimethylmorpholine-3-carboxamide
CID 120921210
(2R,3S)-N,2-dimethyl-N-[(1-phenylpyrazol-4-yl)methyl]morpholine-3-carboxamide
CID 120920037

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-N-[(4-methoxyphenyl)methyl]-N,2-dimethylmorpholine-3-carboxamide;hydrochloride?
The IUPAC name of (2R,3S)-N-[(4-methoxyphenyl)methyl]-N,2-dimethylmorpholine-3-carboxamide;hydrochloride (CID 120918260) is (2R,3S)-N-[(4-methoxyphenyl)methyl]-N,2-dimethylmorpholine-3-carboxamide;hydrochloride.
What is the SMILES notation for (2R,3S)-N-[(4-methoxyphenyl)methyl]-N,2-dimethylmorpholine-3-carboxamide;hydrochloride?
The canonical SMILES for (2R,3S)-N-[(4-methoxyphenyl)methyl]-N,2-dimethylmorpholine-3-carboxamide;hydrochloride is COc1ccc(CN(C)C(=O)[C@H]2NCCO[C@@H]2C)cc1.Cl.
What is the InChIKey of (2R,3S)-N-[(4-methoxyphenyl)methyl]-N,2-dimethylmorpholine-3-carboxamide;hydrochloride?
The InChIKey is PVSVRJBJKJITBJ-GGMFNZDASA-N. The full InChI is InChI=1S/C15H22N2O3.ClH/c1-11-14(16-8-9-20-11)15(18)17(2)10-12-4-6-13(19-3)7-5-12;/h4-7,11,14,16H,8-10H2,1-3H3;1H/t11-,14+;/m1./s1.
What are the key properties of (2R,3S)-N-[(4-methoxyphenyl)methyl]-N,2-dimethylmorpholine-3-carboxamide;hydrochloride?
(2R,3S)-N-[(4-methoxyphenyl)methyl]-N,2-dimethylmorpholine-3-carboxamide;hydrochloride has a molecular weight of 314.81 g/mol, XLogP of 1.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-N-[(4-methoxyphenyl)methyl]-N,2-dimethylmorpholine-3-carboxamide;hydrochloride is sourced from PubChem (CID 120918260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).