(2R,6R)-4-[(4-bromo-3-methylphenyl)methyl]-6-methylmorpholine-2-carboxamide

C14H19BrN2O2 — CID 124516000

IUPAC(2R,6R)-4-[(4-bromo-3-methylphenyl)methyl]-6-methylmorpholine-2-carboxamide
SMILESCc1cc(CN2C[C@@H](C)O[C@@H](C(N)=O)C2)ccc1Br
InChIInChI=1S/C14H19BrN2O2/c1-9-5-11(3-4-12(9)15)7-17-6-10(2)19-13(8-17)14(16)18/h3-5,10,13H,6-8H2,1-2H3,(H2,16,18)/t10-,13-/m1/s1
InChIKeyMQHGDGQGASPOMR-ZWNOBZJWSA-N
MW327.22 g/mol
LogP1.83
Rot. Bonds3

About (2R,6R)-4-[(4-bromo-3-methylphenyl)methyl]-6-methylmorpholine-2-carboxamide

(2R,6R)-4-[(4-bromo-3-methylphenyl)methyl]-6-methylmorpholine-2-carboxamide (PubChem CID 124516000) has the molecular formula C14H19BrN2O2 and a molecular weight of 327.22 g/mol. Its IUPAC name is (2R,6R)-4-[(4-bromo-3-methylphenyl)methyl]-6-methylmorpholine-2-carboxamide.

Molecular Properties

Compound Name(2R,6R)-4-[(4-bromo-3-methylphenyl)methyl]-6-methylmorpholine-2-carboxamide
PubChem CID124516000
Molecular FormulaC14H19BrN2O2
Molecular Weight327.22 g/mol
Exact Mass326.06
IUPAC Name(2R,6R)-4-[(4-bromo-3-methylphenyl)methyl]-6-methylmorpholine-2-carboxamide
SMILESCc1cc(CN2C[C@@H](C)O[C@@H](C(N)=O)C2)ccc1Br
InChIInChI=1S/C14H19BrN2O2/c1-9-5-11(3-4-12(9)15)7-17-6-10(2)19-13(8-17)14(16)18/h3-5,10,13H,6-8H2,1-2H3,(H2,16,18)/t10-,13-/m1/s1
InChIKeyMQHGDGQGASPOMR-ZWNOBZJWSA-N
XLogP1.83
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.22
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R,6R)-4-[(4-bromo-3-methylphenyl)methyl]-6-methylmorpholine-2-carboxamide?
The IUPAC name of (2R,6R)-4-[(4-bromo-3-methylphenyl)methyl]-6-methylmorpholine-2-carboxamide (CID 124516000) is (2R,6R)-4-[(4-bromo-3-methylphenyl)methyl]-6-methylmorpholine-2-carboxamide.
What is the SMILES notation for (2R,6R)-4-[(4-bromo-3-methylphenyl)methyl]-6-methylmorpholine-2-carboxamide?
The canonical SMILES for (2R,6R)-4-[(4-bromo-3-methylphenyl)methyl]-6-methylmorpholine-2-carboxamide is Cc1cc(CN2C[C@@H](C)O[C@@H](C(N)=O)C2)ccc1Br.
What is the InChIKey of (2R,6R)-4-[(4-bromo-3-methylphenyl)methyl]-6-methylmorpholine-2-carboxamide?
The InChIKey is MQHGDGQGASPOMR-ZWNOBZJWSA-N. The full InChI is InChI=1S/C14H19BrN2O2/c1-9-5-11(3-4-12(9)15)7-17-6-10(2)19-13(8-17)14(16)18/h3-5,10,13H,6-8H2,1-2H3,(H2,16,18)/t10-,13-/m1/s1.
What are the key properties of (2R,6R)-4-[(4-bromo-3-methylphenyl)methyl]-6-methylmorpholine-2-carboxamide?
(2R,6R)-4-[(4-bromo-3-methylphenyl)methyl]-6-methylmorpholine-2-carboxamide has a molecular weight of 327.22 g/mol, XLogP of 1.83, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6R)-4-[(4-bromo-3-methylphenyl)methyl]-6-methylmorpholine-2-carboxamide is sourced from PubChem (CID 124516000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).