(2S)-4-methyl-N-[(2R)-1-[2-(trifluoromethyl)phenyl]propan-2-yl]morpholine-2-carboxamide

C16H21F3N2O2 — CID 97347258

IUPAC(2S)-4-methyl-N-[(2R)-1-[2-(trifluoromethyl)phenyl]propan-2-yl]morpholine-2-carboxamide
SMILESC[C@H](Cc1ccccc1C(F)(F)F)NC(=O)[C@@H]1CN(C)CCO1
InChIInChI=1S/C16H21F3N2O2/c1-11(20-15(22)14-10-21(2)7-8-23-14)9-12-5-3-4-6-13(12)16(17,18)19/h3-6,11,14H,7-10H2,1-2H3,(H,20,22)/t11-,14+/m1/s1
InChIKeyBQXCVVLFDQFXJW-RISCZKNCSA-N
MW330.35 g/mol
LogP2.08
Rot. Bonds4

About (2S)-4-methyl-N-[(2R)-1-[2-(trifluoromethyl)phenyl]propan-2-yl]morpholine-2-carboxamide

(2S)-4-methyl-N-[(2R)-1-[2-(trifluoromethyl)phenyl]propan-2-yl]morpholine-2-carboxamide (PubChem CID 97347258) has the molecular formula C16H21F3N2O2 and a molecular weight of 330.35 g/mol. Its IUPAC name is (2S)-4-methyl-N-[(2R)-1-[2-(trifluoromethyl)phenyl]propan-2-yl]morpholine-2-carboxamide.

Molecular Properties

Compound Name(2S)-4-methyl-N-[(2R)-1-[2-(trifluoromethyl)phenyl]propan-2-yl]morpholine-2-carboxamide
PubChem CID97347258
Molecular FormulaC16H21F3N2O2
Molecular Weight330.35 g/mol
Exact Mass330.16
IUPAC Name(2S)-4-methyl-N-[(2R)-1-[2-(trifluoromethyl)phenyl]propan-2-yl]morpholine-2-carboxamide
SMILESC[C@H](Cc1ccccc1C(F)(F)F)NC(=O)[C@@H]1CN(C)CCO1
InChIInChI=1S/C16H21F3N2O2/c1-11(20-15(22)14-10-21(2)7-8-23-14)9-12-5-3-4-6-13(12)16(17,18)19/h3-6,11,14H,7-10H2,1-2H3,(H,20,22)/t11-,14+/m1/s1
InChIKeyBQXCVVLFDQFXJW-RISCZKNCSA-N
XLogP2.08
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.35
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2S)-4-methyl-N-[(2R)-1-[2-(trifluoromethyl)phenyl]propan-2-yl]morpholine-2-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

(4-methylmorpholin-2-yl)-[2-(trifluoromethyl)phenyl]methanone
CID 79078104
N-methyl-4-[[2-(trifluoromethyl)phenyl]methyl]morpholine-2-carboxamide
CID 166602296
4-(hydroxymethyl)-N-[1-[2-(trifluoromethyl)phenyl]propan-2-yl]piperidine-1-carboxamide
CID 84599637
N-(2-hydroxy-1-phenylethyl)-4-methylmorpholine-2-carboxamide
CID 110001398
N-cyclopropyl-4-[[2-(trifluoromethyl)phenyl]methyl]morpholine-2-carboxamide
CID 155981100
4-methyl-N-phenylmorpholine-2-carboxamide
CID 20524995
5-[1-[2-(trifluoromethyl)phenyl]propan-2-ylcarbamoyl]thiophene-2-carboxylic acid
CID 120552775
1-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3-[(2R)-1-[2-(trifluoromethyl)phenyl]propan-2-yl]urea
CID 125137281
1-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3-[1-[2-(trifluoromethyl)phenyl]propan-2-yl]urea
CID 110019212
N-[(2S)-1-(4-methylpiperazin-1-yl)-1-oxo-3-[2-(trifluoromethyl)phenyl]propan-2-yl]cyclopropanecarboxamide
CID 139461424
2-(methylsulfamoyl)-N-[(2S)-1-[2-(trifluoromethyl)phenyl]propan-2-yl]acetamide
CID 97347801
1-(3-hydroxypentyl)-3-[1-[2-(trifluoromethyl)phenyl]propan-2-yl]urea
CID 110024617

Frequently Asked Questions

What is the IUPAC name of (2S)-4-methyl-N-[(2R)-1-[2-(trifluoromethyl)phenyl]propan-2-yl]morpholine-2-carboxamide?
The IUPAC name of (2S)-4-methyl-N-[(2R)-1-[2-(trifluoromethyl)phenyl]propan-2-yl]morpholine-2-carboxamide (CID 97347258) is (2S)-4-methyl-N-[(2R)-1-[2-(trifluoromethyl)phenyl]propan-2-yl]morpholine-2-carboxamide.
What is the SMILES notation for (2S)-4-methyl-N-[(2R)-1-[2-(trifluoromethyl)phenyl]propan-2-yl]morpholine-2-carboxamide?
The canonical SMILES for (2S)-4-methyl-N-[(2R)-1-[2-(trifluoromethyl)phenyl]propan-2-yl]morpholine-2-carboxamide is C[C@H](Cc1ccccc1C(F)(F)F)NC(=O)[C@@H]1CN(C)CCO1.
What is the InChIKey of (2S)-4-methyl-N-[(2R)-1-[2-(trifluoromethyl)phenyl]propan-2-yl]morpholine-2-carboxamide?
The InChIKey is BQXCVVLFDQFXJW-RISCZKNCSA-N. The full InChI is InChI=1S/C16H21F3N2O2/c1-11(20-15(22)14-10-21(2)7-8-23-14)9-12-5-3-4-6-13(12)16(17,18)19/h3-6,11,14H,7-10H2,1-2H3,(H,20,22)/t11-,14+/m1/s1.
What are the key properties of (2S)-4-methyl-N-[(2R)-1-[2-(trifluoromethyl)phenyl]propan-2-yl]morpholine-2-carboxamide?
(2S)-4-methyl-N-[(2R)-1-[2-(trifluoromethyl)phenyl]propan-2-yl]morpholine-2-carboxamide has a molecular weight of 330.35 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-methyl-N-[(2R)-1-[2-(trifluoromethyl)phenyl]propan-2-yl]morpholine-2-carboxamide is sourced from PubChem (CID 97347258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).