(2S,6S)-2,6-dimethyl-N-[4-(trifluoromethoxy)phenyl]morpholine-4-carboxamide

C14H17F3N2O3 — CID 51427241

IUPAC(2S,6S)-2,6-dimethyl-N-[4-(trifluoromethoxy)phenyl]morpholine-4-carboxamide
SMILESC[C@H]1CN(C(=O)Nc2ccc(OC(F)(F)F)cc2)C[C@H](C)O1
InChIInChI=1S/C14H17F3N2O3/c1-9-7-19(8-10(2)21-9)13(20)18-11-3-5-12(6-4-11)22-14(15,16)17/h3-6,9-10H,7-8H2,1-2H3,(H,18,20)/t9-,10-/m0/s1
InChIKeyZXYCTPSKEGEKRP-UWVGGRQHSA-N
MW318.30 g/mol
LogP3.23
Rot. Bonds2

About (2S,6S)-2,6-dimethyl-N-[4-(trifluoromethoxy)phenyl]morpholine-4-carboxamide

(2S,6S)-2,6-dimethyl-N-[4-(trifluoromethoxy)phenyl]morpholine-4-carboxamide (PubChem CID 51427241) has the molecular formula C14H17F3N2O3 and a molecular weight of 318.30 g/mol. Its IUPAC name is (2S,6S)-2,6-dimethyl-N-[4-(trifluoromethoxy)phenyl]morpholine-4-carboxamide.

Molecular Properties

Compound Name(2S,6S)-2,6-dimethyl-N-[4-(trifluoromethoxy)phenyl]morpholine-4-carboxamide
PubChem CID51427241
Molecular FormulaC14H17F3N2O3
Molecular Weight318.30 g/mol
Exact Mass318.12
IUPAC Name(2S,6S)-2,6-dimethyl-N-[4-(trifluoromethoxy)phenyl]morpholine-4-carboxamide
SMILESC[C@H]1CN(C(=O)Nc2ccc(OC(F)(F)F)cc2)C[C@H](C)O1
InChIInChI=1S/C14H17F3N2O3/c1-9-7-19(8-10(2)21-9)13(20)18-11-3-5-12(6-4-11)22-14(15,16)17/h3-6,9-10H,7-8H2,1-2H3,(H,18,20)/t9-,10-/m0/s1
InChIKeyZXYCTPSKEGEKRP-UWVGGRQHSA-N
XLogP3.23
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.30
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S,5R)-3,5-dimethyl-N-[4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide
CID 51944394
(2R,6S)-N-[4-[[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]amino]phenyl]-2,6-dimethylmorpholine-4-carboxamide
CID 51983955
3-methyl-N-[4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide
CID 24748652
(2R,6R)-2,6-dimethyl-N-(4-propan-2-yloxyphenyl)morpholine-4-carboxamide
CID 94187636
2-[[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-methylamino]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 8641948
(3S)-3-methyl-N-[4-(trifluoromethoxy)phenyl]piperazine-1-carboxamide
CID 104976383
N-[4-(trifluoromethoxy)phenyl]pyrrolidine-1-carboxamide
CID 47193651
(2S,6S)-2,6-dimethyl-N-phenylmorpholine-4-carboxamide
CID 41097584
(2S,6R)-2,6-dimethyl-N-phenylmorpholine-4-carboxamide
CID 42545481
ethyl 4-[[(2S,6S)-2,6-dimethylmorpholine-4-carbonyl]amino]benzoate
CID 971488
(3S)-3-hydroxy-N-[4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide
CID 107224975
butyl 4-[(2,6-dimethylmorpholine-4-carbonyl)amino]benzoate
CID 47039962

Frequently Asked Questions

What is the IUPAC name of (2S,6S)-2,6-dimethyl-N-[4-(trifluoromethoxy)phenyl]morpholine-4-carboxamide?
The IUPAC name of (2S,6S)-2,6-dimethyl-N-[4-(trifluoromethoxy)phenyl]morpholine-4-carboxamide (CID 51427241) is (2S,6S)-2,6-dimethyl-N-[4-(trifluoromethoxy)phenyl]morpholine-4-carboxamide.
What is the SMILES notation for (2S,6S)-2,6-dimethyl-N-[4-(trifluoromethoxy)phenyl]morpholine-4-carboxamide?
The canonical SMILES for (2S,6S)-2,6-dimethyl-N-[4-(trifluoromethoxy)phenyl]morpholine-4-carboxamide is C[C@H]1CN(C(=O)Nc2ccc(OC(F)(F)F)cc2)C[C@H](C)O1.
What is the InChIKey of (2S,6S)-2,6-dimethyl-N-[4-(trifluoromethoxy)phenyl]morpholine-4-carboxamide?
The InChIKey is ZXYCTPSKEGEKRP-UWVGGRQHSA-N. The full InChI is InChI=1S/C14H17F3N2O3/c1-9-7-19(8-10(2)21-9)13(20)18-11-3-5-12(6-4-11)22-14(15,16)17/h3-6,9-10H,7-8H2,1-2H3,(H,18,20)/t9-,10-/m0/s1.
What are the key properties of (2S,6S)-2,6-dimethyl-N-[4-(trifluoromethoxy)phenyl]morpholine-4-carboxamide?
(2S,6S)-2,6-dimethyl-N-[4-(trifluoromethoxy)phenyl]morpholine-4-carboxamide has a molecular weight of 318.30 g/mol, XLogP of 3.23, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6S)-2,6-dimethyl-N-[4-(trifluoromethoxy)phenyl]morpholine-4-carboxamide is sourced from PubChem (CID 51427241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).