(2S)-N-prop-2-enyl-2-[[3-(trifluoromethyl)phenyl]methyl]morpholine-4-carboxamide

C16H19F3N2O2 — CID 26408379

IUPAC(2S)-N-prop-2-enyl-2-[[3-(trifluoromethyl)phenyl]methyl]morpholine-4-carboxamide
SMILESC=CCNC(=O)N1CCO[C@@H](Cc2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C16H19F3N2O2/c1-2-6-20-15(22)21-7-8-23-14(11-21)10-12-4-3-5-13(9-12)16(17,18)19/h2-5,9,14H,1,6-8,10-11H2,(H,20,22)/t14-/m0/s1
InChIKeyOTEVACSOJWGPFX-AWEZNQCLSA-N
MW328.33 g/mol
LogP2.84
Rot. Bonds4

About (2S)-N-prop-2-enyl-2-[[3-(trifluoromethyl)phenyl]methyl]morpholine-4-carboxamide

(2S)-N-prop-2-enyl-2-[[3-(trifluoromethyl)phenyl]methyl]morpholine-4-carboxamide (PubChem CID 26408379) has the molecular formula C16H19F3N2O2 and a molecular weight of 328.33 g/mol. Its IUPAC name is (2S)-N-prop-2-enyl-2-[[3-(trifluoromethyl)phenyl]methyl]morpholine-4-carboxamide.

Molecular Properties

Compound Name(2S)-N-prop-2-enyl-2-[[3-(trifluoromethyl)phenyl]methyl]morpholine-4-carboxamide
PubChem CID26408379
Molecular FormulaC16H19F3N2O2
Molecular Weight328.33 g/mol
Exact Mass328.14
IUPAC Name(2S)-N-prop-2-enyl-2-[[3-(trifluoromethyl)phenyl]methyl]morpholine-4-carboxamide
SMILESC=CCNC(=O)N1CCO[C@@H](Cc2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C16H19F3N2O2/c1-2-6-20-15(22)21-7-8-23-14(11-21)10-12-4-3-5-13(9-12)16(17,18)19/h2-5,9,14H,1,6-8,10-11H2,(H,20,22)/t14-/m0/s1
InChIKeyOTEVACSOJWGPFX-AWEZNQCLSA-N
XLogP2.84
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.33
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(2-amino-4-pyridinyl)-[(2S)-2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]methanone
CID 25374537
(1,5-dimethylpyrazol-3-yl)-[(2R)-2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]methanone
CID 42358801
(4-methyl-1H-pyrrol-2-yl)-[(2R)-2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]methanone
CID 95554052
(1,5-dimethylpyrazol-3-yl)-[(2S)-2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]methanone
CID 42358800
(2-methyl-3-pyridinyl)-[2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]methanone
CID 45217332
2-[2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]ethanol
CID 56864108
(5-cyclopropyl-1H-pyrazol-3-yl)-[2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]methanone
CID 56918384
1-(2-ethylmorpholin-4-yl)-2-[3-(trifluoromethyl)phenyl]ethanone
CID 91790975
[5-[[2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]methyl]furan-2-yl]methanol
CID 45212990
1-[(3S,4R)-3-hydroxy-4-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidin-1-yl]prop-2-en-1-one
CID 167541464
2,6-dimethyl-N-[[3-(trifluoromethyl)phenyl]methyl]morpholine-4-carboxamide
CID 51274160
2-benzyl-N-(3-fluoropropyl)morpholine-4-carboxamide
CID 84596460

Frequently Asked Questions

What is the IUPAC name of (2S)-N-prop-2-enyl-2-[[3-(trifluoromethyl)phenyl]methyl]morpholine-4-carboxamide?
The IUPAC name of (2S)-N-prop-2-enyl-2-[[3-(trifluoromethyl)phenyl]methyl]morpholine-4-carboxamide (CID 26408379) is (2S)-N-prop-2-enyl-2-[[3-(trifluoromethyl)phenyl]methyl]morpholine-4-carboxamide.
What is the SMILES notation for (2S)-N-prop-2-enyl-2-[[3-(trifluoromethyl)phenyl]methyl]morpholine-4-carboxamide?
The canonical SMILES for (2S)-N-prop-2-enyl-2-[[3-(trifluoromethyl)phenyl]methyl]morpholine-4-carboxamide is C=CCNC(=O)N1CCO[C@@H](Cc2cccc(C(F)(F)F)c2)C1.
What is the InChIKey of (2S)-N-prop-2-enyl-2-[[3-(trifluoromethyl)phenyl]methyl]morpholine-4-carboxamide?
The InChIKey is OTEVACSOJWGPFX-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H19F3N2O2/c1-2-6-20-15(22)21-7-8-23-14(11-21)10-12-4-3-5-13(9-12)16(17,18)19/h2-5,9,14H,1,6-8,10-11H2,(H,20,22)/t14-/m0/s1.
What are the key properties of (2S)-N-prop-2-enyl-2-[[3-(trifluoromethyl)phenyl]methyl]morpholine-4-carboxamide?
(2S)-N-prop-2-enyl-2-[[3-(trifluoromethyl)phenyl]methyl]morpholine-4-carboxamide has a molecular weight of 328.33 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-prop-2-enyl-2-[[3-(trifluoromethyl)phenyl]methyl]morpholine-4-carboxamide is sourced from PubChem (CID 26408379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).