(2R)-3-methyl-2-[N-(2-phenylethyl)-4-(trifluoromethyl)anilino]butanamide

C20H23F3N2O — CID 87219575

IUPAC(2R)-3-methyl-2-[N-(2-phenylethyl)-4-(trifluoromethyl)anilino]butanamide
SMILESCC(C)[C@H](C(N)=O)N(CCc1ccccc1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C20H23F3N2O/c1-14(2)18(19(24)26)25(13-12-15-6-4-3-5-7-15)17-10-8-16(9-11-17)20(21,22)23/h3-11,14,18H,12-13H2,1-2H3,(H2,24,26)/t18-/m1/s1
InChIKeyPCMKUXHSJKCUHQ-GOSISDBHSA-N
MW364.41 g/mol
LogP4.26
Rot. Bonds7

About (2R)-3-methyl-2-[N-(2-phenylethyl)-4-(trifluoromethyl)anilino]butanamide

(2R)-3-methyl-2-[N-(2-phenylethyl)-4-(trifluoromethyl)anilino]butanamide (PubChem CID 87219575) has the molecular formula C20H23F3N2O and a molecular weight of 364.41 g/mol. Its IUPAC name is (2R)-3-methyl-2-[N-(2-phenylethyl)-4-(trifluoromethyl)anilino]butanamide.

Molecular Properties

Compound Name(2R)-3-methyl-2-[N-(2-phenylethyl)-4-(trifluoromethyl)anilino]butanamide
PubChem CID87219575
Molecular FormulaC20H23F3N2O
Molecular Weight364.41 g/mol
Exact Mass364.18
IUPAC Name(2R)-3-methyl-2-[N-(2-phenylethyl)-4-(trifluoromethyl)anilino]butanamide
SMILESCC(C)[C@H](C(N)=O)N(CCc1ccccc1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C20H23F3N2O/c1-14(2)18(19(24)26)25(13-12-15-6-4-3-5-7-15)17-10-8-16(9-11-17)20(21,22)23/h3-11,14,18H,12-13H2,1-2H3,(H2,24,26)/t18-/m1/s1
InChIKeyPCMKUXHSJKCUHQ-GOSISDBHSA-N
XLogP4.26
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-methyl-4-[4-[4-(trifluoromethyl)phenyl]phenyl]butanamide
CID 157198688
2-amino-N-(4-methylphenyl)-2-phenyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide
CID 25183857
2-[methyl(2-phenylethyl)amino]propanamide
CID 47280413
N-methyl-2-[4-methyl-N-[3-[4-(trifluoromethyl)phenyl]propyl]anilino]-2-phenylacetamide
CID 69039769
(2R)-2-[4-fluoro-3-(trifluoromethoxy)-N-[3-[4-(trifluoromethyl)phenyl]propyl]anilino]-2-phenylacetamide
CID 87668640
2-[benzyl(ethyl)amino]-3-methylbutanamide
CID 82041322
N-(trifluoromethyl)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzamide
CID 87497566
N'-amino-N-methyl-2-phenyl-N-[4-(trifluoromethyl)phenyl]ethanimidamide
CID 123733805
2-methyl-4-[4-(trifluoromethyl)phenyl]butanoic acid
CID 81007800
N-(2-aminoethyl)-N-(2-phenylethyl)-4-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 120895425
methyl-[4-(trifluoromethyl)phenyl]carbamic acid
CID 54260410
(2R)-2-amino-4-[4-(trifluoromethyl)phenyl]butanamide;N-benzylpropanamide
CID 175552219

Frequently Asked Questions

What is the IUPAC name of (2R)-3-methyl-2-[N-(2-phenylethyl)-4-(trifluoromethyl)anilino]butanamide?
The IUPAC name of (2R)-3-methyl-2-[N-(2-phenylethyl)-4-(trifluoromethyl)anilino]butanamide (CID 87219575) is (2R)-3-methyl-2-[N-(2-phenylethyl)-4-(trifluoromethyl)anilino]butanamide.
What is the SMILES notation for (2R)-3-methyl-2-[N-(2-phenylethyl)-4-(trifluoromethyl)anilino]butanamide?
The canonical SMILES for (2R)-3-methyl-2-[N-(2-phenylethyl)-4-(trifluoromethyl)anilino]butanamide is CC(C)[C@H](C(N)=O)N(CCc1ccccc1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of (2R)-3-methyl-2-[N-(2-phenylethyl)-4-(trifluoromethyl)anilino]butanamide?
The InChIKey is PCMKUXHSJKCUHQ-GOSISDBHSA-N. The full InChI is InChI=1S/C20H23F3N2O/c1-14(2)18(19(24)26)25(13-12-15-6-4-3-5-7-15)17-10-8-16(9-11-17)20(21,22)23/h3-11,14,18H,12-13H2,1-2H3,(H2,24,26)/t18-/m1/s1.
What are the key properties of (2R)-3-methyl-2-[N-(2-phenylethyl)-4-(trifluoromethyl)anilino]butanamide?
(2R)-3-methyl-2-[N-(2-phenylethyl)-4-(trifluoromethyl)anilino]butanamide has a molecular weight of 364.41 g/mol, XLogP of 4.26, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-methyl-2-[N-(2-phenylethyl)-4-(trifluoromethyl)anilino]butanamide is sourced from PubChem (CID 87219575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).