(2R,3S)-N-[(4-bromo-2,6-dimethylphenyl)methyl]-2-methylmorpholine-3-carboxamide;hydrochloride

C15H22BrClN2O2 — CID 120928973

IUPAC(2R,3S)-N-[(4-bromo-2,6-dimethylphenyl)methyl]-2-methylmorpholine-3-carboxamide;hydrochloride
SMILESCc1cc(Br)cc(C)c1CNC(=O)[C@H]1NCCO[C@@H]1C.Cl
InChIInChI=1S/C15H21BrN2O2.ClH/c1-9-6-12(16)7-10(2)13(9)8-18-15(19)14-11(3)20-5-4-17-14;/h6-7,11,14,17H,4-5,8H2,1-3H3,(H,18,19);1H/t11-,14+;/m1./s1
InChIKeyUQDKVJPUNMSVGL-GGMFNZDASA-N
MW377.71 g/mol
LogP2.48
Rot. Bonds3

About (2R,3S)-N-[(4-bromo-2,6-dimethylphenyl)methyl]-2-methylmorpholine-3-carboxamide;hydrochloride

(2R,3S)-N-[(4-bromo-2,6-dimethylphenyl)methyl]-2-methylmorpholine-3-carboxamide;hydrochloride (PubChem CID 120928973) has the molecular formula C15H22BrClN2O2 and a molecular weight of 377.71 g/mol. Its IUPAC name is (2R,3S)-N-[(4-bromo-2,6-dimethylphenyl)methyl]-2-methylmorpholine-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2R,3S)-N-[(4-bromo-2,6-dimethylphenyl)methyl]-2-methylmorpholine-3-carboxamide;hydrochloride
PubChem CID120928973
Molecular FormulaC15H22BrClN2O2
Molecular Weight377.71 g/mol
Exact Mass376.06
IUPAC Name(2R,3S)-N-[(4-bromo-2,6-dimethylphenyl)methyl]-2-methylmorpholine-3-carboxamide;hydrochloride
SMILESCc1cc(Br)cc(C)c1CNC(=O)[C@H]1NCCO[C@@H]1C.Cl
InChIInChI=1S/C15H21BrN2O2.ClH/c1-9-6-12(16)7-10(2)13(9)8-18-15(19)14-11(3)20-5-4-17-14;/h6-7,11,14,17H,4-5,8H2,1-3H3,(H,18,19);1H/t11-,14+;/m1./s1
InChIKeyUQDKVJPUNMSVGL-GGMFNZDASA-N
XLogP2.48
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.71
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,3S)-2-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]morpholine-3-carboxamide;hydrochloride
CID 120928446
(2R,3S)-N-[(2,4-dimethylphenyl)methyl]-2-methylmorpholine-3-carboxamide
CID 120923132
(2R,3S)-N-(4-bromo-2-methylphenyl)-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120918516
(2R,3S)-N-benzyl-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120916874
(2R,3S)-N-[2-(4-bromoanilino)-2-oxoethyl]-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120926240
(2R,3S)-N-[(2-bromo-5-methoxyphenyl)methyl]-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120926162
N-ethyl-2-methylmorpholine-3-carboxamide
CID 131071311
(2R,3S)-N-[[2-(dimethylamino)phenyl]methyl]-2-methylmorpholine-3-carboxamide;dihydrochloride
CID 120940688
(2R,3S)-N-[[3-(hydroxymethyl)phenyl]methyl]-2-methylmorpholine-3-carboxamide
CID 120931249
N-[(4-bromo-2,6-dimethylphenyl)methyl]pyrrolidine-2-carboxamide
CID 119309190
(2R,3S)-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-methylmorpholine-3-carboxamide;dihydrochloride
CID 120938228
(2R,3S)-2-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]morpholine-3-carboxamide
CID 120919660

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-N-[(4-bromo-2,6-dimethylphenyl)methyl]-2-methylmorpholine-3-carboxamide;hydrochloride?
The IUPAC name of (2R,3S)-N-[(4-bromo-2,6-dimethylphenyl)methyl]-2-methylmorpholine-3-carboxamide;hydrochloride (CID 120928973) is (2R,3S)-N-[(4-bromo-2,6-dimethylphenyl)methyl]-2-methylmorpholine-3-carboxamide;hydrochloride.
What is the SMILES notation for (2R,3S)-N-[(4-bromo-2,6-dimethylphenyl)methyl]-2-methylmorpholine-3-carboxamide;hydrochloride?
The canonical SMILES for (2R,3S)-N-[(4-bromo-2,6-dimethylphenyl)methyl]-2-methylmorpholine-3-carboxamide;hydrochloride is Cc1cc(Br)cc(C)c1CNC(=O)[C@H]1NCCO[C@@H]1C.Cl.
What is the InChIKey of (2R,3S)-N-[(4-bromo-2,6-dimethylphenyl)methyl]-2-methylmorpholine-3-carboxamide;hydrochloride?
The InChIKey is UQDKVJPUNMSVGL-GGMFNZDASA-N. The full InChI is InChI=1S/C15H21BrN2O2.ClH/c1-9-6-12(16)7-10(2)13(9)8-18-15(19)14-11(3)20-5-4-17-14;/h6-7,11,14,17H,4-5,8H2,1-3H3,(H,18,19);1H/t11-,14+;/m1./s1.
What are the key properties of (2R,3S)-N-[(4-bromo-2,6-dimethylphenyl)methyl]-2-methylmorpholine-3-carboxamide;hydrochloride?
(2R,3S)-N-[(4-bromo-2,6-dimethylphenyl)methyl]-2-methylmorpholine-3-carboxamide;hydrochloride has a molecular weight of 377.71 g/mol, XLogP of 2.48, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-N-[(4-bromo-2,6-dimethylphenyl)methyl]-2-methylmorpholine-3-carboxamide;hydrochloride is sourced from PubChem (CID 120928973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).