(2R,6R)-N-(4-bromo-3-methylphenyl)-2,6-dimethylmorpholine-4-carboxamide

C14H19BrN2O2 — CID 51944457

IUPAC(2R,6R)-N-(4-bromo-3-methylphenyl)-2,6-dimethylmorpholine-4-carboxamide
SMILESCc1cc(NC(=O)N2C[C@@H](C)O[C@H](C)C2)ccc1Br
InChIInChI=1S/C14H19BrN2O2/c1-9-6-12(4-5-13(9)15)16-14(18)17-7-10(2)19-11(3)8-17/h4-6,10-11H,7-8H2,1-3H3,(H,16,18)/t10-,11-/m1/s1
InChIKeyHHQDGLQTEHASRP-GHMZBOCLSA-N
MW327.22 g/mol
LogP3.40
Rot. Bonds1

About (2R,6R)-N-(4-bromo-3-methylphenyl)-2,6-dimethylmorpholine-4-carboxamide

(2R,6R)-N-(4-bromo-3-methylphenyl)-2,6-dimethylmorpholine-4-carboxamide (PubChem CID 51944457) has the molecular formula C14H19BrN2O2 and a molecular weight of 327.22 g/mol. Its IUPAC name is (2R,6R)-N-(4-bromo-3-methylphenyl)-2,6-dimethylmorpholine-4-carboxamide.

Molecular Properties

Compound Name(2R,6R)-N-(4-bromo-3-methylphenyl)-2,6-dimethylmorpholine-4-carboxamide
PubChem CID51944457
Molecular FormulaC14H19BrN2O2
Molecular Weight327.22 g/mol
Exact Mass326.06
IUPAC Name(2R,6R)-N-(4-bromo-3-methylphenyl)-2,6-dimethylmorpholine-4-carboxamide
SMILESCc1cc(NC(=O)N2C[C@@H](C)O[C@H](C)C2)ccc1Br
InChIInChI=1S/C14H19BrN2O2/c1-9-6-12(4-5-13(9)15)16-14(18)17-7-10(2)19-11(3)8-17/h4-6,10-11H,7-8H2,1-3H3,(H,16,18)/t10-,11-/m1/s1
InChIKeyHHQDGLQTEHASRP-GHMZBOCLSA-N
XLogP3.40
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.22
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3,4-dimethylphenyl)-2,6-dimethylmorpholine-4-carboxamide
CID 4570981
(2R,6S)-N-[4-[[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]amino]phenyl]-2,6-dimethylmorpholine-4-carboxamide
CID 51983955
(2S)-2-(4-bromo-3-methylanilino)-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propan-1-one
CID 7831927
(2R,6S)-2,6-dimethyl-N-(3-methyl-4-nitrophenyl)morpholine-4-carboxamide
CID 75509755
(2S,6S)-N-(3,4-dichlorophenyl)-2,6-dimethylmorpholine-4-carboxamide
CID 726111
(4-bromo-3-methylphenyl)-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone
CID 66817211
(2S,6S)-2,6-dimethyl-N-phenylmorpholine-4-carboxamide
CID 41097584
(2S,6R)-2,6-dimethyl-N-phenylmorpholine-4-carboxamide
CID 42545481
N-(4-bromo-3-methylphenyl)piperazine-1-carboxamide
CID 82094622
5-[[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]amino]-2-hydroxybenzoic acid
CID 104959655
(2R,6R)-N-(3-chlorophenyl)-2,6-dimethylmorpholine-4-carboxamide
CID 41097571
(2S,6S)-N-(3-acetylphenyl)-2,6-dimethylmorpholine-4-carboxamide
CID 969916

Frequently Asked Questions

What is the IUPAC name of (2R,6R)-N-(4-bromo-3-methylphenyl)-2,6-dimethylmorpholine-4-carboxamide?
The IUPAC name of (2R,6R)-N-(4-bromo-3-methylphenyl)-2,6-dimethylmorpholine-4-carboxamide (CID 51944457) is (2R,6R)-N-(4-bromo-3-methylphenyl)-2,6-dimethylmorpholine-4-carboxamide.
What is the SMILES notation for (2R,6R)-N-(4-bromo-3-methylphenyl)-2,6-dimethylmorpholine-4-carboxamide?
The canonical SMILES for (2R,6R)-N-(4-bromo-3-methylphenyl)-2,6-dimethylmorpholine-4-carboxamide is Cc1cc(NC(=O)N2C[C@@H](C)O[C@H](C)C2)ccc1Br.
What is the InChIKey of (2R,6R)-N-(4-bromo-3-methylphenyl)-2,6-dimethylmorpholine-4-carboxamide?
The InChIKey is HHQDGLQTEHASRP-GHMZBOCLSA-N. The full InChI is InChI=1S/C14H19BrN2O2/c1-9-6-12(4-5-13(9)15)16-14(18)17-7-10(2)19-11(3)8-17/h4-6,10-11H,7-8H2,1-3H3,(H,16,18)/t10-,11-/m1/s1.
What are the key properties of (2R,6R)-N-(4-bromo-3-methylphenyl)-2,6-dimethylmorpholine-4-carboxamide?
(2R,6R)-N-(4-bromo-3-methylphenyl)-2,6-dimethylmorpholine-4-carboxamide has a molecular weight of 327.22 g/mol, XLogP of 3.40, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6R)-N-(4-bromo-3-methylphenyl)-2,6-dimethylmorpholine-4-carboxamide is sourced from PubChem (CID 51944457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).