(2R,6R)-N-[[3-(difluoromethoxy)phenyl]methyl]-2,6-dimethylmorpholine-4-carboxamide

C15H20F2N2O3 — CID 94387178

IUPAC(2R,6R)-N-[[3-(difluoromethoxy)phenyl]methyl]-2,6-dimethylmorpholine-4-carboxamide
SMILESC[C@@H]1CN(C(=O)NCc2cccc(OC(F)F)c2)C[C@@H](C)O1
InChIInChI=1S/C15H20F2N2O3/c1-10-8-19(9-11(2)21-10)15(20)18-7-12-4-3-5-13(6-12)22-14(16)17/h3-6,10-11,14H,7-9H2,1-2H3,(H,18,20)/t10-,11-/m1/s1
InChIKeyMHEYBCRGQPCQCS-GHMZBOCLSA-N
MW314.33 g/mol
LogP2.61
Rot. Bonds4

About (2R,6R)-N-[[3-(difluoromethoxy)phenyl]methyl]-2,6-dimethylmorpholine-4-carboxamide

(2R,6R)-N-[[3-(difluoromethoxy)phenyl]methyl]-2,6-dimethylmorpholine-4-carboxamide (PubChem CID 94387178) has the molecular formula C15H20F2N2O3 and a molecular weight of 314.33 g/mol. Its IUPAC name is (2R,6R)-N-[[3-(difluoromethoxy)phenyl]methyl]-2,6-dimethylmorpholine-4-carboxamide.

Molecular Properties

Compound Name(2R,6R)-N-[[3-(difluoromethoxy)phenyl]methyl]-2,6-dimethylmorpholine-4-carboxamide
PubChem CID94387178
Molecular FormulaC15H20F2N2O3
Molecular Weight314.33 g/mol
Exact Mass314.14
IUPAC Name(2R,6R)-N-[[3-(difluoromethoxy)phenyl]methyl]-2,6-dimethylmorpholine-4-carboxamide
SMILESC[C@@H]1CN(C(=O)NCc2cccc(OC(F)F)c2)C[C@@H](C)O1
InChIInChI=1S/C15H20F2N2O3/c1-10-8-19(9-11(2)21-10)15(20)18-7-12-4-3-5-13(6-12)22-14(16)17/h3-6,10-11,14H,7-9H2,1-2H3,(H,18,20)/t10-,11-/m1/s1
InChIKeyMHEYBCRGQPCQCS-GHMZBOCLSA-N
XLogP2.61
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.33
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,6-dimethyl-N-[(3-methylphenyl)methyl]morpholine-4-carboxamide
CID 108898086
2,6-dimethyl-N-[[3-(trifluoromethyl)phenyl]methyl]morpholine-4-carboxamide
CID 51274160
N-[(3-cyanophenyl)methyl]-2,6-dimethylmorpholine-4-carboxamide
CID 47249348
N-[2-(3-methoxyphenyl)ethyl]-2,6-dimethylmorpholine-4-carboxamide
CID 108900892
1-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methyl]-3-[(3-methoxyphenyl)methyl]urea
CID 47985084
1-[[3-(2,2-difluoroethoxy)phenyl]methylcarbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122122618
N-[(4-chlorophenyl)methyl]-2,6-dimethylmorpholine-4-carboxamide
CID 108899201
1-[[3-(difluoromethoxy)phenyl]methyl]-3-[(3-methoxyphenyl)methyl]urea
CID 49467029
[2-(aminomethyl)-6-methylmorpholin-4-yl]-[3-(difluoromethoxy)phenyl]methanone
CID 102938275
3-(difluoromethoxy)-N-[2-(2,6-dimethylmorpholin-4-yl)propyl]benzamide
CID 42958339
1-[[3-(difluoromethoxy)phenyl]methyl]-3-(furan-3-ylmethyl)urea
CID 49479533
1-(1-bicyclo[1.1.1]pentanyl)-3-[[3-(difluoromethoxy)phenyl]methyl]urea
CID 169150536

Frequently Asked Questions

What is the IUPAC name of (2R,6R)-N-[[3-(difluoromethoxy)phenyl]methyl]-2,6-dimethylmorpholine-4-carboxamide?
The IUPAC name of (2R,6R)-N-[[3-(difluoromethoxy)phenyl]methyl]-2,6-dimethylmorpholine-4-carboxamide (CID 94387178) is (2R,6R)-N-[[3-(difluoromethoxy)phenyl]methyl]-2,6-dimethylmorpholine-4-carboxamide.
What is the SMILES notation for (2R,6R)-N-[[3-(difluoromethoxy)phenyl]methyl]-2,6-dimethylmorpholine-4-carboxamide?
The canonical SMILES for (2R,6R)-N-[[3-(difluoromethoxy)phenyl]methyl]-2,6-dimethylmorpholine-4-carboxamide is C[C@@H]1CN(C(=O)NCc2cccc(OC(F)F)c2)C[C@@H](C)O1.
What is the InChIKey of (2R,6R)-N-[[3-(difluoromethoxy)phenyl]methyl]-2,6-dimethylmorpholine-4-carboxamide?
The InChIKey is MHEYBCRGQPCQCS-GHMZBOCLSA-N. The full InChI is InChI=1S/C15H20F2N2O3/c1-10-8-19(9-11(2)21-10)15(20)18-7-12-4-3-5-13(6-12)22-14(16)17/h3-6,10-11,14H,7-9H2,1-2H3,(H,18,20)/t10-,11-/m1/s1.
What are the key properties of (2R,6R)-N-[[3-(difluoromethoxy)phenyl]methyl]-2,6-dimethylmorpholine-4-carboxamide?
(2R,6R)-N-[[3-(difluoromethoxy)phenyl]methyl]-2,6-dimethylmorpholine-4-carboxamide has a molecular weight of 314.33 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6R)-N-[[3-(difluoromethoxy)phenyl]methyl]-2,6-dimethylmorpholine-4-carboxamide is sourced from PubChem (CID 94387178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).