(2S)-2-(methylamino)-N-[2-[4-[4-(trifluoromethyl)phenyl]phenyl]ethyl]butanamide

C20H23F3N2O — CID 162721230

IUPAC(2S)-2-(methylamino)-N-[2-[4-[4-(trifluoromethyl)phenyl]phenyl]ethyl]butanamide
SMILESCC[C@H](NC)C(=O)NCCc1ccc(-c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C20H23F3N2O/c1-3-18(24-2)19(26)25-13-12-14-4-6-15(7-5-14)16-8-10-17(11-9-16)20(21,22)23/h4-11,18,24H,3,12-13H2,1-2H3,(H,25,26)/t18-/m0/s1
InChIKeyVEXJSYLJHAIHKE-SFHVURJKSA-N
MW364.41 g/mol
LogP4.03
Rot. Bonds7

About (2S)-2-(methylamino)-N-[2-[4-[4-(trifluoromethyl)phenyl]phenyl]ethyl]butanamide

(2S)-2-(methylamino)-N-[2-[4-[4-(trifluoromethyl)phenyl]phenyl]ethyl]butanamide (PubChem CID 162721230) has the molecular formula C20H23F3N2O and a molecular weight of 364.41 g/mol. Its IUPAC name is (2S)-2-(methylamino)-N-[2-[4-[4-(trifluoromethyl)phenyl]phenyl]ethyl]butanamide.

Molecular Properties

Compound Name(2S)-2-(methylamino)-N-[2-[4-[4-(trifluoromethyl)phenyl]phenyl]ethyl]butanamide
PubChem CID162721230
Molecular FormulaC20H23F3N2O
Molecular Weight364.41 g/mol
Exact Mass364.18
IUPAC Name(2S)-2-(methylamino)-N-[2-[4-[4-(trifluoromethyl)phenyl]phenyl]ethyl]butanamide
SMILESCC[C@H](NC)C(=O)NCCc1ccc(-c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C20H23F3N2O/c1-3-18(24-2)19(26)25-13-12-14-4-6-15(7-5-14)16-8-10-17(11-9-16)20(21,22)23/h4-11,18,24H,3,12-13H2,1-2H3,(H,25,26)/t18-/m0/s1
InChIKeyVEXJSYLJHAIHKE-SFHVURJKSA-N
XLogP4.03
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-N-[2-[4-(3,4-dichlorophenyl)phenyl]ethyl]-2-(methylamino)butanamide
CID 162721237
2-amino-N-[2-[4-[4-(trifluoromethyl)phenyl]phenyl]ethyl]hexanamide
CID 162721267
(2S)-2-amino-N-[2-[4-[4-(trifluoromethyl)phenyl]phenyl]ethyl]hexanamide;hydrochloride
CID 162721213
1-(1-hydroxybutan-2-yl)-3-[2-[4-(trifluoromethyl)phenyl]ethyl]urea
CID 110890023
(2R)-2-methyl-4-[4-[4-(trifluoromethyl)phenyl]phenyl]butanamide
CID 157198688
N-[2-(4-acetamidophenyl)ethyl]-2-methyl-3-[4-(trifluoromethyl)phenyl]propanamide
CID 167926376
4-methyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]pentanamide
CID 78768780
N-[2-(4-fluorophenyl)ethyl]-2-hydroxy-3-[4-(trifluoromethyl)phenyl]propanamide
CID 25109287
4-[[[ethylamino-[2-[4-(trifluoromethyl)phenyl]ethylamino]methylidene]amino]methyl]-N-methylbenzamide
CID 111295447
4-[2-(2-methylbutanoylamino)ethyl]benzoic acid
CID 43665707
1-methoxy-3-[2-[4-(trifluoromethyl)phenyl]ethyl]urea
CID 38212879
N-[2-[4-(3,4-dichlorophenyl)phenyl]ethyl]-2-(methylamino)pentanamide;hydrochloride
CID 164766046

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(methylamino)-N-[2-[4-[4-(trifluoromethyl)phenyl]phenyl]ethyl]butanamide?
The IUPAC name of (2S)-2-(methylamino)-N-[2-[4-[4-(trifluoromethyl)phenyl]phenyl]ethyl]butanamide (CID 162721230) is (2S)-2-(methylamino)-N-[2-[4-[4-(trifluoromethyl)phenyl]phenyl]ethyl]butanamide.
What is the SMILES notation for (2S)-2-(methylamino)-N-[2-[4-[4-(trifluoromethyl)phenyl]phenyl]ethyl]butanamide?
The canonical SMILES for (2S)-2-(methylamino)-N-[2-[4-[4-(trifluoromethyl)phenyl]phenyl]ethyl]butanamide is CC[C@H](NC)C(=O)NCCc1ccc(-c2ccc(C(F)(F)F)cc2)cc1.
What is the InChIKey of (2S)-2-(methylamino)-N-[2-[4-[4-(trifluoromethyl)phenyl]phenyl]ethyl]butanamide?
The InChIKey is VEXJSYLJHAIHKE-SFHVURJKSA-N. The full InChI is InChI=1S/C20H23F3N2O/c1-3-18(24-2)19(26)25-13-12-14-4-6-15(7-5-14)16-8-10-17(11-9-16)20(21,22)23/h4-11,18,24H,3,12-13H2,1-2H3,(H,25,26)/t18-/m0/s1.
What are the key properties of (2S)-2-(methylamino)-N-[2-[4-[4-(trifluoromethyl)phenyl]phenyl]ethyl]butanamide?
(2S)-2-(methylamino)-N-[2-[4-[4-(trifluoromethyl)phenyl]phenyl]ethyl]butanamide has a molecular weight of 364.41 g/mol, XLogP of 4.03, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(methylamino)-N-[2-[4-[4-(trifluoromethyl)phenyl]phenyl]ethyl]butanamide is sourced from PubChem (CID 162721230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).