(2S)-2-amino-3-methyl-N-[2-methyl-5-(trifluoromethyl)phenyl]pentanamide

C14H19F3N2O — CID 66475643

IUPAC(2S)-2-amino-3-methyl-N-[2-methyl-5-(trifluoromethyl)phenyl]pentanamide
SMILESCCC(C)[C@H](N)C(=O)Nc1cc(C(F)(F)F)ccc1C
InChIInChI=1S/C14H19F3N2O/c1-4-8(2)12(18)13(20)19-11-7-10(14(15,16)17)6-5-9(11)3/h5-8,12H,4,18H2,1-3H3,(H,19,20)/t8?,12-/m0/s1
InChIKeyALYYCFZHWHKYMQ-MYIOLCAUSA-N
MW288.31 g/mol
LogP3.33
Rot. Bonds4

About (2S)-2-amino-3-methyl-N-[2-methyl-5-(trifluoromethyl)phenyl]pentanamide

(2S)-2-amino-3-methyl-N-[2-methyl-5-(trifluoromethyl)phenyl]pentanamide (PubChem CID 66475643) has the molecular formula C14H19F3N2O and a molecular weight of 288.31 g/mol. Its IUPAC name is (2S)-2-amino-3-methyl-N-[2-methyl-5-(trifluoromethyl)phenyl]pentanamide.

Molecular Properties

Compound Name(2S)-2-amino-3-methyl-N-[2-methyl-5-(trifluoromethyl)phenyl]pentanamide
PubChem CID66475643
Molecular FormulaC14H19F3N2O
Molecular Weight288.31 g/mol
Exact Mass288.14
IUPAC Name(2S)-2-amino-3-methyl-N-[2-methyl-5-(trifluoromethyl)phenyl]pentanamide
SMILESCCC(C)[C@H](N)C(=O)Nc1cc(C(F)(F)F)ccc1C
InChIInChI=1S/C14H19F3N2O/c1-4-8(2)12(18)13(20)19-11-7-10(14(15,16)17)6-5-9(11)3/h5-8,12H,4,18H2,1-3H3,(H,19,20)/t8?,12-/m0/s1
InChIKeyALYYCFZHWHKYMQ-MYIOLCAUSA-N
XLogP3.33
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-amino-N-[2-methyl-5-(trifluoromethyl)phenyl]pentanamide
CID 103794824
(2S,3S)-2-amino-N-(5-bromo-2-methylphenyl)-3-methylpentanamide
CID 61178087
(2S,3S)-2-amino-3-methyl-N-[4-(trifluoromethyl)phenyl]pentanamide
CID 42313687
(2S,3S)-N-(5-acetamido-2-methylphenyl)-2-amino-3-methylpentanamide
CID 61154615
2-amino-3-methyl-N-[3-(trifluoromethyl)phenyl]pentanamide
CID 24706834
(2S,3S)-2-amino-3-methyl-N-[2-methyl-5-(propanoylamino)phenyl]pentanamide
CID 61156327
(2S)-2-amino-N-(5-cyano-2-methylphenyl)-3-methylpentanamide
CID 62105604
(2S)-2-amino-3-methyl-N-(2-methyl-5-sulfamoylphenyl)pentanamide
CID 61172312
3-[(2-amino-3-methylpentanoyl)amino]-N,4-dimethylbenzamide
CID 43711952
(2S)-N-(3-acetamido-4-methylphenyl)-2-amino-3-methylpentanamide
CID 61174777
3-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-N,N,4-trimethylbenzamide
CID 61179468
(2S)-2-amino-3-methyl-N-[2-(trifluoromethyl)phenyl]pentanamide;hydrochloride
CID 52986036

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-methyl-N-[2-methyl-5-(trifluoromethyl)phenyl]pentanamide?
The IUPAC name of (2S)-2-amino-3-methyl-N-[2-methyl-5-(trifluoromethyl)phenyl]pentanamide (CID 66475643) is (2S)-2-amino-3-methyl-N-[2-methyl-5-(trifluoromethyl)phenyl]pentanamide.
What is the SMILES notation for (2S)-2-amino-3-methyl-N-[2-methyl-5-(trifluoromethyl)phenyl]pentanamide?
The canonical SMILES for (2S)-2-amino-3-methyl-N-[2-methyl-5-(trifluoromethyl)phenyl]pentanamide is CCC(C)[C@H](N)C(=O)Nc1cc(C(F)(F)F)ccc1C.
What is the InChIKey of (2S)-2-amino-3-methyl-N-[2-methyl-5-(trifluoromethyl)phenyl]pentanamide?
The InChIKey is ALYYCFZHWHKYMQ-MYIOLCAUSA-N. The full InChI is InChI=1S/C14H19F3N2O/c1-4-8(2)12(18)13(20)19-11-7-10(14(15,16)17)6-5-9(11)3/h5-8,12H,4,18H2,1-3H3,(H,19,20)/t8?,12-/m0/s1.
What are the key properties of (2S)-2-amino-3-methyl-N-[2-methyl-5-(trifluoromethyl)phenyl]pentanamide?
(2S)-2-amino-3-methyl-N-[2-methyl-5-(trifluoromethyl)phenyl]pentanamide has a molecular weight of 288.31 g/mol, XLogP of 3.33, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-methyl-N-[2-methyl-5-(trifluoromethyl)phenyl]pentanamide is sourced from PubChem (CID 66475643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).