5-amino-4-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]pentanamide

C14H19F3N2O — CID 82010760

IUPAC5-amino-4-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]pentanamide
SMILESCC(CN)CCC(=O)NCc1ccccc1C(F)(F)F
InChIInChI=1S/C14H19F3N2O/c1-10(8-18)6-7-13(20)19-9-11-4-2-3-5-12(11)14(15,16)17/h2-5,10H,6-9,18H2,1H3,(H,19,20)
InChIKeyWMYBGVKFPWAARQ-UHFFFAOYSA-N
MW288.31 g/mol
LogP2.70
Rot. Bonds6

About 5-amino-4-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]pentanamide

5-amino-4-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]pentanamide (PubChem CID 82010760) has the molecular formula C14H19F3N2O and a molecular weight of 288.31 g/mol. Its IUPAC name is 5-amino-4-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]pentanamide.

Molecular Properties

Compound Name5-amino-4-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]pentanamide
PubChem CID82010760
Molecular FormulaC14H19F3N2O
Molecular Weight288.31 g/mol
Exact Mass288.14
IUPAC Name5-amino-4-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]pentanamide
SMILESCC(CN)CCC(=O)NCc1ccccc1C(F)(F)F
InChIInChI=1S/C14H19F3N2O/c1-10(8-18)6-7-13(20)19-9-11-4-2-3-5-12(11)14(15,16)17/h2-5,10H,6-9,18H2,1H3,(H,19,20)
InChIKeyWMYBGVKFPWAARQ-UHFFFAOYSA-N
XLogP2.70
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(propan-2-ylamino)-N-[[2-(trifluoromethyl)phenyl]methyl]butanamide
CID 62879951
3-(aminomethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]pentanamide
CID 81079708
2-amino-N-[[2-(trifluoromethyl)phenyl]methyl]propanamide
CID 62879781
3-methoxy-N-[[2-(trifluoromethyl)phenyl]methyl]propanamide
CID 110480450
2-propan-2-yloxy-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide
CID 112686778
4-(4-fluoro-N-methylanilino)-N-[[2-(trifluoromethyl)phenyl]methyl]pentanamide
CID 90874062
4-methoxy-N-[[2-(trifluoromethyl)phenyl]methyl]butanamide
CID 126520228
3-amino-2-methoxy-N-[[2-(trifluoromethyl)phenyl]methyl]propanamide
CID 106112788
2-sulfanyl-N-[[2-(trifluoromethyl)phenyl]methyl]propanamide
CID 107028778
2-chloro-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide
CID 57455734
6-(methylamino)-N-[[2-(trifluoromethyl)phenyl]methyl]hexanamide
CID 167116783
N-(3-aminobutyl)-2-[2-(trifluoromethyl)phenyl]acetamide;hydrochloride
CID 119496810

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]pentanamide?
The IUPAC name of 5-amino-4-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]pentanamide (CID 82010760) is 5-amino-4-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]pentanamide.
What is the SMILES notation for 5-amino-4-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]pentanamide?
The canonical SMILES for 5-amino-4-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]pentanamide is CC(CN)CCC(=O)NCc1ccccc1C(F)(F)F.
What is the InChIKey of 5-amino-4-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]pentanamide?
The InChIKey is WMYBGVKFPWAARQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2O/c1-10(8-18)6-7-13(20)19-9-11-4-2-3-5-12(11)14(15,16)17/h2-5,10H,6-9,18H2,1H3,(H,19,20).
What are the key properties of 5-amino-4-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]pentanamide?
5-amino-4-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]pentanamide has a molecular weight of 288.31 g/mol, XLogP of 2.70, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]pentanamide is sourced from PubChem (CID 82010760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).