(3S)-3-methyl-N-[(2R)-1,1,1-trifluoro-4,4-dimethylpentan-2-yl]morpholine-4-carboxamide

C13H23F3N2O2 — CID 97340934

IUPAC(3S)-3-methyl-N-[(2R)-1,1,1-trifluoro-4,4-dimethylpentan-2-yl]morpholine-4-carboxamide
SMILESC[C@H]1COCCN1C(=O)N[C@H](CC(C)(C)C)C(F)(F)F
InChIInChI=1S/C13H23F3N2O2/c1-9-8-20-6-5-18(9)11(19)17-10(13(14,15)16)7-12(2,3)4/h9-10H,5-8H2,1-4H3,(H,17,19)/t9-,10+/m0/s1
InChIKeyRAVDKSFGSDIMLW-VHSXEESVSA-N
MW296.33 g/mol
LogP2.78
Rot. Bonds2

About (3S)-3-methyl-N-[(2R)-1,1,1-trifluoro-4,4-dimethylpentan-2-yl]morpholine-4-carboxamide

(3S)-3-methyl-N-[(2R)-1,1,1-trifluoro-4,4-dimethylpentan-2-yl]morpholine-4-carboxamide (PubChem CID 97340934) has the molecular formula C13H23F3N2O2 and a molecular weight of 296.33 g/mol. Its IUPAC name is (3S)-3-methyl-N-[(2R)-1,1,1-trifluoro-4,4-dimethylpentan-2-yl]morpholine-4-carboxamide.

Molecular Properties

Compound Name(3S)-3-methyl-N-[(2R)-1,1,1-trifluoro-4,4-dimethylpentan-2-yl]morpholine-4-carboxamide
PubChem CID97340934
Molecular FormulaC13H23F3N2O2
Molecular Weight296.33 g/mol
Exact Mass296.17
IUPAC Name(3S)-3-methyl-N-[(2R)-1,1,1-trifluoro-4,4-dimethylpentan-2-yl]morpholine-4-carboxamide
SMILESC[C@H]1COCCN1C(=O)N[C@H](CC(C)(C)C)C(F)(F)F
InChIInChI=1S/C13H23F3N2O2/c1-9-8-20-6-5-18(9)11(19)17-10(13(14,15)16)7-12(2,3)4/h9-10H,5-8H2,1-4H3,(H,17,19)/t9-,10+/m0/s1
InChIKeyRAVDKSFGSDIMLW-VHSXEESVSA-N
XLogP2.78
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-3-(1H-1,2,4-triazol-5-yl)-N-[(2S)-1,1,1-trifluoro-4,4-dimethylpentan-2-yl]morpholine-4-carboxamide
CID 124883853
(3R)-N-tert-butyl-3-methylmorpholine-4-carboxamide
CID 106774167
(2R)-2-(hydroxymethyl)-N-[(2S)-1,1,1-trifluoro-4,4-dimethylpentan-2-yl]pyrrolidine-1-carboxamide
CID 97306489
(2R)-2-(hydroxymethyl)-N-(1,1,1-trifluoro-4,4-dimethylpentan-2-yl)pyrrolidine-1-carboxamide
CID 75484952
2-methyl-2-[(3-methylmorpholine-4-carbonyl)amino]butanoic acid
CID 79800880
3-methyl-N-propan-2-yl-1,4-oxazepane-4-carboxamide
CID 130834986
4-hydroxy-2-[(3-methylmorpholine-4-carbonyl)amino]butanoic acid
CID 61227566
5-methyl-1-[(1,1,1-trifluoro-4,4-dimethylpentan-2-yl)carbamoyl]piperidine-3-carboxylic acid
CID 122102824
2,2-dimethyl-4-[(3-methylmorpholine-4-carbonyl)amino]-4-oxobutanoic acid
CID 65300132
2-[(3-methylmorpholine-4-carbonyl)amino]-4-methylsulfonylbutanoic acid
CID 61209766
2-hydroxy-2-methyl-1-(3-methylmorpholin-4-yl)propan-1-one
CID 103429510
3-amino-2,2,3-trimethyl-1-[(3R)-3-methylmorpholin-4-yl]butan-1-one
CID 106774586

Frequently Asked Questions

What is the IUPAC name of (3S)-3-methyl-N-[(2R)-1,1,1-trifluoro-4,4-dimethylpentan-2-yl]morpholine-4-carboxamide?
The IUPAC name of (3S)-3-methyl-N-[(2R)-1,1,1-trifluoro-4,4-dimethylpentan-2-yl]morpholine-4-carboxamide (CID 97340934) is (3S)-3-methyl-N-[(2R)-1,1,1-trifluoro-4,4-dimethylpentan-2-yl]morpholine-4-carboxamide.
What is the SMILES notation for (3S)-3-methyl-N-[(2R)-1,1,1-trifluoro-4,4-dimethylpentan-2-yl]morpholine-4-carboxamide?
The canonical SMILES for (3S)-3-methyl-N-[(2R)-1,1,1-trifluoro-4,4-dimethylpentan-2-yl]morpholine-4-carboxamide is C[C@H]1COCCN1C(=O)N[C@H](CC(C)(C)C)C(F)(F)F.
What is the InChIKey of (3S)-3-methyl-N-[(2R)-1,1,1-trifluoro-4,4-dimethylpentan-2-yl]morpholine-4-carboxamide?
The InChIKey is RAVDKSFGSDIMLW-VHSXEESVSA-N. The full InChI is InChI=1S/C13H23F3N2O2/c1-9-8-20-6-5-18(9)11(19)17-10(13(14,15)16)7-12(2,3)4/h9-10H,5-8H2,1-4H3,(H,17,19)/t9-,10+/m0/s1.
What are the key properties of (3S)-3-methyl-N-[(2R)-1,1,1-trifluoro-4,4-dimethylpentan-2-yl]morpholine-4-carboxamide?
(3S)-3-methyl-N-[(2R)-1,1,1-trifluoro-4,4-dimethylpentan-2-yl]morpholine-4-carboxamide has a molecular weight of 296.33 g/mol, XLogP of 2.78, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-methyl-N-[(2R)-1,1,1-trifluoro-4,4-dimethylpentan-2-yl]morpholine-4-carboxamide is sourced from PubChem (CID 97340934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).