(2S)-N-(3-phenylcyclobutyl)-2-(2,2,2-trifluoroethyl)morpholine-4-carboxamide

C17H21F3N2O2 — CID 164637390

IUPAC(2S)-N-(3-phenylcyclobutyl)-2-(2,2,2-trifluoroethyl)morpholine-4-carboxamide
SMILESO=C(NC1CC(c2ccccc2)C1)N1CCO[C@@H](CC(F)(F)F)C1
InChIInChI=1S/C17H21F3N2O2/c18-17(19,20)10-15-11-22(6-7-24-15)16(23)21-14-8-13(9-14)12-4-2-1-3-5-12/h1-5,13-15H,6-11H2,(H,21,23)/t13?,14?,15-/m0/s1
InChIKeyXTOKQELVRYHGNU-NRXISQOPSA-N
MW342.36 g/mol
LogP3.30
Rot. Bonds3

About (2S)-N-(3-phenylcyclobutyl)-2-(2,2,2-trifluoroethyl)morpholine-4-carboxamide

(2S)-N-(3-phenylcyclobutyl)-2-(2,2,2-trifluoroethyl)morpholine-4-carboxamide (PubChem CID 164637390) has the molecular formula C17H21F3N2O2 and a molecular weight of 342.36 g/mol. Its IUPAC name is (2S)-N-(3-phenylcyclobutyl)-2-(2,2,2-trifluoroethyl)morpholine-4-carboxamide.

Molecular Properties

Compound Name(2S)-N-(3-phenylcyclobutyl)-2-(2,2,2-trifluoroethyl)morpholine-4-carboxamide
PubChem CID164637390
Molecular FormulaC17H21F3N2O2
Molecular Weight342.36 g/mol
Exact Mass342.16
IUPAC Name(2S)-N-(3-phenylcyclobutyl)-2-(2,2,2-trifluoroethyl)morpholine-4-carboxamide
SMILESO=C(NC1CC(c2ccccc2)C1)N1CCO[C@@H](CC(F)(F)F)C1
InChIInChI=1S/C17H21F3N2O2/c18-17(19,20)10-15-11-22(6-7-24-15)16(23)21-14-8-13(9-14)12-4-2-1-3-5-12/h1-5,13-15H,6-11H2,(H,21,23)/t13?,14?,15-/m0/s1
InChIKeyXTOKQELVRYHGNU-NRXISQOPSA-N
XLogP3.30
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.36
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2S)-N-(3-phenylcyclobutyl)-2-(2,2,2-trifluoroethyl)morpholine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-phenylpropyl)morpholine-4-carboxamide
CID 1973120
N-[2-(4-fluorophenyl)ethyl]morpholine-4-carboxamide
CID 831447
N-(4-phenylbutan-2-yl)morpholine-4-carboxamide
CID 2915222
1-(3-Morpholin-4-ylpropyl)-3-(2-phenylethyl)urea
CID 38155390
1-(2-Morpholin-4-ylethyl)-3-(4-phenylbutyl)urea
CID 118398512
2-(morpholin-4-ylmethyl)-N-(2-phenylethyl)azepane-1-carboxamide
CID 124042352
US9670210, Example 15 N-({1-[(3-Methoxypiperidin-1-yl)carbonyl]azetidin-3-yl}methyl)-trans-2-phenylcyclopropanamine
CID 118290900
1-(2-Morpholin-4-ylethyl)-3-(3-phenylpropyl)urea
CID 34702817
4-ethoxy-N-[1-[4-(trifluoromethyl)phenyl]ethyl]piperidine-1-carboxamide
CID 47069356
1-[2-(4-Fluoro-2-methylphenyl)ethyl]-3-(2-morpholin-4-ylpropyl)urea
CID 71856970
4-N-[[1-(4-fluorophenyl)cyclobutyl]methyl]morpholine-2,4-dicarboxamide
CID 71934725
N-(2-phenylethyl)morpholine-4-carboxamide
CID 5149328

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(3-phenylcyclobutyl)-2-(2,2,2-trifluoroethyl)morpholine-4-carboxamide?
The IUPAC name of (2S)-N-(3-phenylcyclobutyl)-2-(2,2,2-trifluoroethyl)morpholine-4-carboxamide (CID 164637390) is (2S)-N-(3-phenylcyclobutyl)-2-(2,2,2-trifluoroethyl)morpholine-4-carboxamide.
What is the SMILES notation for (2S)-N-(3-phenylcyclobutyl)-2-(2,2,2-trifluoroethyl)morpholine-4-carboxamide?
The canonical SMILES for (2S)-N-(3-phenylcyclobutyl)-2-(2,2,2-trifluoroethyl)morpholine-4-carboxamide is O=C(NC1CC(c2ccccc2)C1)N1CCO[C@@H](CC(F)(F)F)C1.
What is the InChIKey of (2S)-N-(3-phenylcyclobutyl)-2-(2,2,2-trifluoroethyl)morpholine-4-carboxamide?
The InChIKey is XTOKQELVRYHGNU-NRXISQOPSA-N. The full InChI is InChI=1S/C17H21F3N2O2/c18-17(19,20)10-15-11-22(6-7-24-15)16(23)21-14-8-13(9-14)12-4-2-1-3-5-12/h1-5,13-15H,6-11H2,(H,21,23)/t13?,14?,15-/m0/s1.
What are the key properties of (2S)-N-(3-phenylcyclobutyl)-2-(2,2,2-trifluoroethyl)morpholine-4-carboxamide?
(2S)-N-(3-phenylcyclobutyl)-2-(2,2,2-trifluoroethyl)morpholine-4-carboxamide has a molecular weight of 342.36 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(3-phenylcyclobutyl)-2-(2,2,2-trifluoroethyl)morpholine-4-carboxamide is sourced from PubChem (CID 164637390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).