(2S)-4-ethyl-N-[2-methyl-3-(2,2,2-trifluoroethoxy)phenyl]morpholine-2-carboxamide

C16H21F3N2O3 — CID 95907066

IUPAC(2S)-4-ethyl-N-[2-methyl-3-(2,2,2-trifluoroethoxy)phenyl]morpholine-2-carboxamide
SMILESCCN1CCO[C@H](C(=O)Nc2cccc(OCC(F)(F)F)c2C)C1
InChIInChI=1S/C16H21F3N2O3/c1-3-21-7-8-23-14(9-21)15(22)20-12-5-4-6-13(11(12)2)24-10-16(17,18)19/h4-6,14H,3,7-10H2,1-2H3,(H,20,22)/t14-/m0/s1
InChIKeyCFZPFBATSLVXBF-AWEZNQCLSA-N
MW346.35 g/mol
LogP2.60
Rot. Bonds5

About (2S)-4-ethyl-N-[2-methyl-3-(2,2,2-trifluoroethoxy)phenyl]morpholine-2-carboxamide

(2S)-4-ethyl-N-[2-methyl-3-(2,2,2-trifluoroethoxy)phenyl]morpholine-2-carboxamide (PubChem CID 95907066) has the molecular formula C16H21F3N2O3 and a molecular weight of 346.35 g/mol. Its IUPAC name is (2S)-4-ethyl-N-[2-methyl-3-(2,2,2-trifluoroethoxy)phenyl]morpholine-2-carboxamide.

Molecular Properties

Compound Name(2S)-4-ethyl-N-[2-methyl-3-(2,2,2-trifluoroethoxy)phenyl]morpholine-2-carboxamide
PubChem CID95907066
Molecular FormulaC16H21F3N2O3
Molecular Weight346.35 g/mol
Exact Mass346.15
IUPAC Name(2S)-4-ethyl-N-[2-methyl-3-(2,2,2-trifluoroethoxy)phenyl]morpholine-2-carboxamide
SMILESCCN1CCO[C@H](C(=O)Nc2cccc(OCC(F)(F)F)c2C)C1
InChIInChI=1S/C16H21F3N2O3/c1-3-21-7-8-23-14(9-21)15(22)20-12-5-4-6-13(11(12)2)24-10-16(17,18)19/h4-6,14H,3,7-10H2,1-2H3,(H,20,22)/t14-/m0/s1
InChIKeyCFZPFBATSLVXBF-AWEZNQCLSA-N
XLogP2.60
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.35
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-methyl-3-(2,2,2-trifluoroethoxy)phenyl]morpholine-4-carboxamide
CID 56824373
N-[2-methyl-3-(2,2,2-trifluoroethoxy)phenyl]piperidine-4-carboxamide
CID 119315211
N-[2-methyl-3-(2,2,2-trifluoroethoxy)phenyl]pyrrolidine-2-carboxamide
CID 119315217
N-[2-methyl-3-(2,2,2-trifluoroethoxy)phenyl]piperidine-3-carboxamide
CID 119315223
N-[2-methyl-3-(2,2,2-trifluoroethoxy)phenyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119315216
1-[2-methyl-3-(2,2,2-trifluoroethoxy)phenyl]-3-(oxolan-2-ylmethyl)urea
CID 56824446
2-(methylamino)-N-[2-methyl-3-(2,2,2-trifluoroethoxy)phenyl]acetamide
CID 119769160
2-amino-N-[2-methyl-3-(2,2,2-trifluoroethoxy)phenyl]-2-(oxan-4-yl)acetamide
CID 120791678
(2S)-2-amino-N-[2-methyl-3-(2,2,2-trifluoroethoxy)phenyl]propanamide
CID 119315205
1-[(3R,4R)-1-ethyl-3-methylpiperidin-4-yl]-1-methyl-3-[2-(2,2,2-trifluoroethoxy)phenyl]urea
CID 97099748
(2,3-dimethylphenyl)-(4-ethylmorpholin-2-yl)methanone
CID 79666423
2-(2-methoxyethylamino)-N-[2-methyl-3-(2,2,2-trifluoroethoxy)phenyl]acetamide
CID 119769186

Frequently Asked Questions

What is the IUPAC name of (2S)-4-ethyl-N-[2-methyl-3-(2,2,2-trifluoroethoxy)phenyl]morpholine-2-carboxamide?
The IUPAC name of (2S)-4-ethyl-N-[2-methyl-3-(2,2,2-trifluoroethoxy)phenyl]morpholine-2-carboxamide (CID 95907066) is (2S)-4-ethyl-N-[2-methyl-3-(2,2,2-trifluoroethoxy)phenyl]morpholine-2-carboxamide.
What is the SMILES notation for (2S)-4-ethyl-N-[2-methyl-3-(2,2,2-trifluoroethoxy)phenyl]morpholine-2-carboxamide?
The canonical SMILES for (2S)-4-ethyl-N-[2-methyl-3-(2,2,2-trifluoroethoxy)phenyl]morpholine-2-carboxamide is CCN1CCO[C@H](C(=O)Nc2cccc(OCC(F)(F)F)c2C)C1.
What is the InChIKey of (2S)-4-ethyl-N-[2-methyl-3-(2,2,2-trifluoroethoxy)phenyl]morpholine-2-carboxamide?
The InChIKey is CFZPFBATSLVXBF-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H21F3N2O3/c1-3-21-7-8-23-14(9-21)15(22)20-12-5-4-6-13(11(12)2)24-10-16(17,18)19/h4-6,14H,3,7-10H2,1-2H3,(H,20,22)/t14-/m0/s1.
What are the key properties of (2S)-4-ethyl-N-[2-methyl-3-(2,2,2-trifluoroethoxy)phenyl]morpholine-2-carboxamide?
(2S)-4-ethyl-N-[2-methyl-3-(2,2,2-trifluoroethoxy)phenyl]morpholine-2-carboxamide has a molecular weight of 346.35 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-ethyl-N-[2-methyl-3-(2,2,2-trifluoroethoxy)phenyl]morpholine-2-carboxamide is sourced from PubChem (CID 95907066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).