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

C14H19F3N2O — CID 62879432

IUPAC(2S)-2-amino-3-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]pentanamide
SMILESCCC(C)[C@H](N)C(=O)NCc1ccccc1C(F)(F)F
InChIInChI=1S/C14H19F3N2O/c1-3-9(2)12(18)13(20)19-8-10-6-4-5-7-11(10)14(15,16)17/h4-7,9,12H,3,8,18H2,1-2H3,(H,19,20)/t9?,12-/m0/s1
InChIKeyBSGGDAUQUQVPDA-ACGXKRRESA-N
MW288.31 g/mol
LogP2.69
Rot. Bonds5

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

(2S)-2-amino-3-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]pentanamide (PubChem CID 62879432) 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-(trifluoromethyl)phenyl]methyl]pentanamide.

Molecular Properties

Compound Name(2S)-2-amino-3-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]pentanamide
PubChem CID62879432
Molecular FormulaC14H19F3N2O
Molecular Weight288.31 g/mol
Exact Mass288.14
IUPAC Name(2S)-2-amino-3-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]pentanamide
SMILESCCC(C)[C@H](N)C(=O)NCc1ccccc1C(F)(F)F
InChIInChI=1S/C14H19F3N2O/c1-3-9(2)12(18)13(20)19-8-10-6-4-5-7-11(10)14(15,16)17/h4-7,9,12H,3,8,18H2,1-2H3,(H,19,20)/t9?,12-/m0/s1
InChIKeyBSGGDAUQUQVPDA-ACGXKRRESA-N
XLogP2.69
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-[[2-(trifluoromethyl)phenyl]methyl]propanamide
CID 62879781
2-amino-3-methyl-N-[2-[2-(trifluoromethyl)phenoxy]ethyl]pentanamide
CID 119778077
(2S)-2-amino-3-methyl-N-[2-(trifluoromethyl)phenyl]pentanamide;hydrochloride
CID 52986036
2-amino-3-methyl-N-[[2-(2,2,2-trifluoroethoxy)phenyl]methyl]pentanamide
CID 119744429
2-sulfanyl-N-[[2-(trifluoromethyl)phenyl]methyl]propanamide
CID 107028778
2-amino-3-methyl-N-(naphthalen-1-ylmethyl)pentanamide
CID 62368637
2-amino-3-methyl-N-(naphthalen-1-ylmethyl)pentanamide;hydrochloride
CID 119709573
2-propan-2-yloxy-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide
CID 112686778
3-amino-2-methoxy-N-[[2-(trifluoromethyl)phenyl]methyl]propanamide
CID 106112788
2-(N'-hydroxycarbamimidoyl)-N-[[2-(trifluoromethyl)phenyl]methyl]butanamide
CID 76975567
2-(1-amino-2-methylbutyl)-N-[[2-(trifluoromethyl)phenyl]methyl]-1,3-oxazole-4-carboxamide
CID 3271164
3-(aminomethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]pentanamide
CID 81079708

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]pentanamide?
The IUPAC name of (2S)-2-amino-3-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]pentanamide (CID 62879432) is (2S)-2-amino-3-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]pentanamide.
What is the SMILES notation for (2S)-2-amino-3-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]pentanamide?
The canonical SMILES for (2S)-2-amino-3-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]pentanamide is CCC(C)[C@H](N)C(=O)NCc1ccccc1C(F)(F)F.
What is the InChIKey of (2S)-2-amino-3-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]pentanamide?
The InChIKey is BSGGDAUQUQVPDA-ACGXKRRESA-N. The full InChI is InChI=1S/C14H19F3N2O/c1-3-9(2)12(18)13(20)19-8-10-6-4-5-7-11(10)14(15,16)17/h4-7,9,12H,3,8,18H2,1-2H3,(H,19,20)/t9?,12-/m0/s1.
What are the key properties of (2S)-2-amino-3-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]pentanamide?
(2S)-2-amino-3-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]pentanamide has a molecular weight of 288.31 g/mol, XLogP of 2.69, 5 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-(trifluoromethyl)phenyl]methyl]pentanamide is sourced from PubChem (CID 62879432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).