2-amino-N-benzyl-N-(2,2,2-trifluoroethyl)pentanamide

C14H19F3N2O — CID 60938216

IUPAC2-amino-N-benzyl-N-(2,2,2-trifluoroethyl)pentanamide
SMILESCCCC(N)C(=O)N(Cc1ccccc1)CC(F)(F)F
InChIInChI=1S/C14H19F3N2O/c1-2-6-12(18)13(20)19(10-14(15,16)17)9-11-7-4-3-5-8-11/h3-5,7-8,12H,2,6,9-10,18H2,1H3
InChIKeyNQCCTBFDGWTMIQ-UHFFFAOYSA-N
MW288.31 g/mol
LogP2.70
Rot. Bonds6

About 2-amino-N-benzyl-N-(2,2,2-trifluoroethyl)pentanamide

2-amino-N-benzyl-N-(2,2,2-trifluoroethyl)pentanamide (PubChem CID 60938216) has the molecular formula C14H19F3N2O and a molecular weight of 288.31 g/mol. Its IUPAC name is 2-amino-N-benzyl-N-(2,2,2-trifluoroethyl)pentanamide.

Molecular Properties

Compound Name2-amino-N-benzyl-N-(2,2,2-trifluoroethyl)pentanamide
PubChem CID60938216
Molecular FormulaC14H19F3N2O
Molecular Weight288.31 g/mol
Exact Mass288.14
IUPAC Name2-amino-N-benzyl-N-(2,2,2-trifluoroethyl)pentanamide
SMILESCCCC(N)C(=O)N(Cc1ccccc1)CC(F)(F)F
InChIInChI=1S/C14H19F3N2O/c1-2-6-12(18)13(20)19(10-14(15,16)17)9-11-7-4-3-5-8-11/h3-5,7-8,12H,2,6,9-10,18H2,1H3
InChIKeyNQCCTBFDGWTMIQ-UHFFFAOYSA-N
XLogP2.70
TPSA46.33 Ų
H-Bond Donors1
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 ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-benzyl-N-(2-phenylethyl)pentanamide
CID 119264050
(2S)-2-amino-3-phenyl-N-propyl-N-(2,2,2-trifluoroethyl)propanamide
CID 61164512
(2S)-2-amino-N-benzyl-N-(2-methoxyethyl)pentanamide
CID 93367288
2-amino-N-benzyl-N-(cyclobutylmethyl)pentanamide
CID 119305518
2-[2-aminopentanoyl(benzyl)amino]-2-methylpropanoic acid
CID 175596193
2-amino-N-benzyl-2-ethyl-N-(2,2,2-trifluoroethyl)butanamide
CID 79814224
(2S)-2-amino-N-benzyl-N-(cyanomethyl)hexanamide
CID 93469866
2-amino-N-ethyl-N-(pyridin-4-ylmethyl)pentanamide
CID 54873793
2-amino-3-[[(2S)-2-amino-3-(dibenzylamino)-3-oxopropyl]disulfanyl]-N,N-dibenzylpropanamide
CID 87772747
4-amino-N-benzyl-3-methyl-N-(2,2,2-trifluoroethyl)butanamide
CID 81075244
(2R)-2-amino-N-methyl-N-(2,2,2-trifluoroethyl)pentanamide
CID 107568767
2-amino-N-benzyl-N-ethylbutanediamide
CID 54928160

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-benzyl-N-(2,2,2-trifluoroethyl)pentanamide?
The IUPAC name of 2-amino-N-benzyl-N-(2,2,2-trifluoroethyl)pentanamide (CID 60938216) is 2-amino-N-benzyl-N-(2,2,2-trifluoroethyl)pentanamide.
What is the SMILES notation for 2-amino-N-benzyl-N-(2,2,2-trifluoroethyl)pentanamide?
The canonical SMILES for 2-amino-N-benzyl-N-(2,2,2-trifluoroethyl)pentanamide is CCCC(N)C(=O)N(Cc1ccccc1)CC(F)(F)F.
What is the InChIKey of 2-amino-N-benzyl-N-(2,2,2-trifluoroethyl)pentanamide?
The InChIKey is NQCCTBFDGWTMIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2O/c1-2-6-12(18)13(20)19(10-14(15,16)17)9-11-7-4-3-5-8-11/h3-5,7-8,12H,2,6,9-10,18H2,1H3.
What are the key properties of 2-amino-N-benzyl-N-(2,2,2-trifluoroethyl)pentanamide?
2-amino-N-benzyl-N-(2,2,2-trifluoroethyl)pentanamide has a molecular weight of 288.31 g/mol, XLogP of 2.70, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-benzyl-N-(2,2,2-trifluoroethyl)pentanamide is sourced from PubChem (CID 60938216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).