(2R,3S)-N,2-dimethyl-N-[(4-methylphenyl)methyl]morpholine-3-carboxamide;hydrochloride

C15H23ClN2O2 — CID 120918446

IUPAC(2R,3S)-N,2-dimethyl-N-[(4-methylphenyl)methyl]morpholine-3-carboxamide;hydrochloride
SMILESCc1ccc(CN(C)C(=O)[C@H]2NCCO[C@@H]2C)cc1.Cl
InChIInChI=1S/C15H22N2O2.ClH/c1-11-4-6-13(7-5-11)10-17(3)15(18)14-12(2)19-9-8-16-14;/h4-7,12,14,16H,8-10H2,1-3H3;1H/t12-,14+;/m1./s1
InChIKeyJJUMFJATAKAFCH-OJMBIDBESA-N
MW298.81 g/mol
LogP1.75
Rot. Bonds3

About (2R,3S)-N,2-dimethyl-N-[(4-methylphenyl)methyl]morpholine-3-carboxamide;hydrochloride

(2R,3S)-N,2-dimethyl-N-[(4-methylphenyl)methyl]morpholine-3-carboxamide;hydrochloride (PubChem CID 120918446) has the molecular formula C15H23ClN2O2 and a molecular weight of 298.81 g/mol. Its IUPAC name is (2R,3S)-N,2-dimethyl-N-[(4-methylphenyl)methyl]morpholine-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2R,3S)-N,2-dimethyl-N-[(4-methylphenyl)methyl]morpholine-3-carboxamide;hydrochloride
PubChem CID120918446
Molecular FormulaC15H23ClN2O2
Molecular Weight298.81 g/mol
Exact Mass298.14
IUPAC Name(2R,3S)-N,2-dimethyl-N-[(4-methylphenyl)methyl]morpholine-3-carboxamide;hydrochloride
SMILESCc1ccc(CN(C)C(=O)[C@H]2NCCO[C@@H]2C)cc1.Cl
InChIInChI=1S/C15H22N2O2.ClH/c1-11-4-6-13(7-5-11)10-17(3)15(18)14-12(2)19-9-8-16-14;/h4-7,12,14,16H,8-10H2,1-3H3;1H/t12-,14+;/m1./s1
InChIKeyJJUMFJATAKAFCH-OJMBIDBESA-N
XLogP1.75
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.81
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,3S)-N-[(4-methoxyphenyl)methyl]-N,2-dimethylmorpholine-3-carboxamide;hydrochloride
CID 120918260
(2R,3S)-N,2-dimethyl-N-[(3-methylphenyl)methyl]morpholine-3-carboxamide
CID 120923405
(2R,3S)-N,2-dimethyl-N-[(4-methylsulfonylphenyl)methyl]morpholine-3-carboxamide
CID 120934519
(2R,3S)-N,2-dimethyl-N-[2-(4-methylphenoxy)ethyl]morpholine-3-carboxamide;hydrochloride
CID 120920116
(2R,3S)-N-[(6-methoxynaphthalen-2-yl)methyl]-N,2-dimethylmorpholine-3-carboxamide;hydrochloride
CID 120919622
(2R,3S)-N-[(2-bromophenyl)methyl]-N,2-dimethylmorpholine-3-carboxamide;hydrochloride
CID 120918331
(2R,3S)-N-[(2-fluorophenyl)methyl]-N,2-dimethylmorpholine-3-carboxamide
CID 120918482
(2R,3S)-N,2-dimethyl-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]morpholine-3-carboxamide
CID 120935535
(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
(2R,3S)-N,2-dimethyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]morpholine-3-carboxamide;hydrochloride
CID 120924793
(2R,3S)-N,2-dimethyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]morpholine-3-carboxamide;dihydrochloride
CID 120938273

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-N,2-dimethyl-N-[(4-methylphenyl)methyl]morpholine-3-carboxamide;hydrochloride?
The IUPAC name of (2R,3S)-N,2-dimethyl-N-[(4-methylphenyl)methyl]morpholine-3-carboxamide;hydrochloride (CID 120918446) is (2R,3S)-N,2-dimethyl-N-[(4-methylphenyl)methyl]morpholine-3-carboxamide;hydrochloride.
What is the SMILES notation for (2R,3S)-N,2-dimethyl-N-[(4-methylphenyl)methyl]morpholine-3-carboxamide;hydrochloride?
The canonical SMILES for (2R,3S)-N,2-dimethyl-N-[(4-methylphenyl)methyl]morpholine-3-carboxamide;hydrochloride is Cc1ccc(CN(C)C(=O)[C@H]2NCCO[C@@H]2C)cc1.Cl.
What is the InChIKey of (2R,3S)-N,2-dimethyl-N-[(4-methylphenyl)methyl]morpholine-3-carboxamide;hydrochloride?
The InChIKey is JJUMFJATAKAFCH-OJMBIDBESA-N. The full InChI is InChI=1S/C15H22N2O2.ClH/c1-11-4-6-13(7-5-11)10-17(3)15(18)14-12(2)19-9-8-16-14;/h4-7,12,14,16H,8-10H2,1-3H3;1H/t12-,14+;/m1./s1.
What are the key properties of (2R,3S)-N,2-dimethyl-N-[(4-methylphenyl)methyl]morpholine-3-carboxamide;hydrochloride?
(2R,3S)-N,2-dimethyl-N-[(4-methylphenyl)methyl]morpholine-3-carboxamide;hydrochloride has a molecular weight of 298.81 g/mol, XLogP of 1.75, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-N,2-dimethyl-N-[(4-methylphenyl)methyl]morpholine-3-carboxamide;hydrochloride is sourced from PubChem (CID 120918446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).