(2S)-2-[methyl(2-morpholin-4-ylethyl)amino]-N-[3-(trifluoromethyl)phenyl]propanamide

C17H24F3N3O2 — CID 97067662

IUPAC(2S)-2-[methyl(2-morpholin-4-ylethyl)amino]-N-[3-(trifluoromethyl)phenyl]propanamide
SMILESC[C@@H](C(=O)Nc1cccc(C(F)(F)F)c1)N(C)CCN1CCOCC1
InChIInChI=1S/C17H24F3N3O2/c1-13(22(2)6-7-23-8-10-25-11-9-23)16(24)21-15-5-3-4-14(12-15)17(18,19)20/h3-5,12-13H,6-11H2,1-2H3,(H,21,24)/t13-/m0/s1
InChIKeyHFLLNUYGJAGXMC-ZDUSSCGKSA-N
MW359.39 g/mol
LogP2.30
Rot. Bonds6

About (2S)-2-[methyl(2-morpholin-4-ylethyl)amino]-N-[3-(trifluoromethyl)phenyl]propanamide

(2S)-2-[methyl(2-morpholin-4-ylethyl)amino]-N-[3-(trifluoromethyl)phenyl]propanamide (PubChem CID 97067662) has the molecular formula C17H24F3N3O2 and a molecular weight of 359.39 g/mol. Its IUPAC name is (2S)-2-[methyl(2-morpholin-4-ylethyl)amino]-N-[3-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound Name(2S)-2-[methyl(2-morpholin-4-ylethyl)amino]-N-[3-(trifluoromethyl)phenyl]propanamide
PubChem CID97067662
Molecular FormulaC17H24F3N3O2
Molecular Weight359.39 g/mol
Exact Mass359.18
IUPAC Name(2S)-2-[methyl(2-morpholin-4-ylethyl)amino]-N-[3-(trifluoromethyl)phenyl]propanamide
SMILESC[C@@H](C(=O)Nc1cccc(C(F)(F)F)c1)N(C)CCN1CCOCC1
InChIInChI=1S/C17H24F3N3O2/c1-13(22(2)6-7-23-8-10-25-11-9-23)16(24)21-15-5-3-4-14(12-15)17(18,19)20/h3-5,12-13H,6-11H2,1-2H3,(H,21,24)/t13-/m0/s1
InChIKeyHFLLNUYGJAGXMC-ZDUSSCGKSA-N
XLogP2.30
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.39
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-morpholin-4-ylethyl)-N'-[3-(trifluoromethyl)phenyl]propanediamide
CID 108944086
1-N-(2-morpholin-4-ylethyl)-1-N'-[3-(trifluoromethyl)phenyl]cyclopropane-1,1-dicarboxamide
CID 108973686
(2R)-2-[methyl(thiophen-3-ylmethyl)amino]-N-[3-(trifluoromethyl)phenyl]propanamide
CID 25476161
2-[4-(morpholine-4-carbonyl)piperidin-1-yl]-N-[3-(trifluoromethyl)phenyl]propanamide
CID 42889908
N-(3-morpholin-4-ylsulfonylphenyl)-2-[3-(trifluoromethyl)anilino]propanamide
CID 4883284
(2S)-N-(3-acetylphenyl)-2-[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]propanamide
CID 8711519
1-[4-[2-(3-morpholin-4-ylpropyl)pyrimidin-5-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 148671648
3-acetamido-N-methyl-N-(2-morpholin-4-ylethyl)benzamide
CID 110752365
6-(2-morpholin-4-ylethylamino)-N-[3-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
CID 109344513
6-(2-morpholin-4-ylethylamino)-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 109154066
N-(3-fluorophenyl)-2-[methyl-[(2-morpholin-4-ylphenyl)methyl]amino]propanamide
CID 42888083
3-[4-(2-hydroxyethyl)piperazin-1-yl]-N-[3-(trifluoromethyl)phenyl]propanamide
CID 111912608

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[methyl(2-morpholin-4-ylethyl)amino]-N-[3-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of (2S)-2-[methyl(2-morpholin-4-ylethyl)amino]-N-[3-(trifluoromethyl)phenyl]propanamide (CID 97067662) is (2S)-2-[methyl(2-morpholin-4-ylethyl)amino]-N-[3-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for (2S)-2-[methyl(2-morpholin-4-ylethyl)amino]-N-[3-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for (2S)-2-[methyl(2-morpholin-4-ylethyl)amino]-N-[3-(trifluoromethyl)phenyl]propanamide is C[C@@H](C(=O)Nc1cccc(C(F)(F)F)c1)N(C)CCN1CCOCC1.
What is the InChIKey of (2S)-2-[methyl(2-morpholin-4-ylethyl)amino]-N-[3-(trifluoromethyl)phenyl]propanamide?
The InChIKey is HFLLNUYGJAGXMC-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H24F3N3O2/c1-13(22(2)6-7-23-8-10-25-11-9-23)16(24)21-15-5-3-4-14(12-15)17(18,19)20/h3-5,12-13H,6-11H2,1-2H3,(H,21,24)/t13-/m0/s1.
What are the key properties of (2S)-2-[methyl(2-morpholin-4-ylethyl)amino]-N-[3-(trifluoromethyl)phenyl]propanamide?
(2S)-2-[methyl(2-morpholin-4-ylethyl)amino]-N-[3-(trifluoromethyl)phenyl]propanamide has a molecular weight of 359.39 g/mol, XLogP of 2.30, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[methyl(2-morpholin-4-ylethyl)amino]-N-[3-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 97067662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).