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

C13H17F3N2O2 — CID 61258868

IUPAC2-amino-N-[[4-(trifluoromethoxy)phenyl]methyl]pentanamide
SMILESCCCC(N)C(=O)NCc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C13H17F3N2O2/c1-2-3-11(17)12(19)18-8-9-4-6-10(7-5-9)20-13(14,15)16/h4-7,11H,2-3,8,17H2,1H3,(H,18,19)
InChIKeyRTDPTBMFIBMCFH-UHFFFAOYSA-N
MW290.29 g/mol
LogP2.33
Rot. Bonds6

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

2-amino-N-[[4-(trifluoromethoxy)phenyl]methyl]pentanamide (PubChem CID 61258868) has the molecular formula C13H17F3N2O2 and a molecular weight of 290.29 g/mol. Its IUPAC name is 2-amino-N-[[4-(trifluoromethoxy)phenyl]methyl]pentanamide.

Molecular Properties

Compound Name2-amino-N-[[4-(trifluoromethoxy)phenyl]methyl]pentanamide
PubChem CID61258868
Molecular FormulaC13H17F3N2O2
Molecular Weight290.29 g/mol
Exact Mass290.12
IUPAC Name2-amino-N-[[4-(trifluoromethoxy)phenyl]methyl]pentanamide
SMILESCCCC(N)C(=O)NCc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C13H17F3N2O2/c1-2-3-11(17)12(19)18-8-9-4-6-10(7-5-9)20-13(14,15)16/h4-7,11H,2-3,8,17H2,1H3,(H,18,19)
InChIKeyRTDPTBMFIBMCFH-UHFFFAOYSA-N
XLogP2.33
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.29
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-3-methoxy-N-[[4-(trifluoromethoxy)phenyl]methyl]propanamide;hydrochloride
CID 54757279
2-amino-3-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]pentanamide
CID 61258507
(2S)-2-amino-3,3-dimethyl-N-[[4-(trifluoromethoxy)phenyl]methyl]butanamide
CID 61260128
3-amino-N-[[4-(trifluoromethoxy)phenyl]methyl]butanamide
CID 61258869
2-bromo-3-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]butanamide
CID 43168090
3-(ethylamino)-2-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]propanamide
CID 62838028
2-amino-N-benzylpentanamide
CID 11020044
(2S)-2-amino-N-[(4-propan-2-ylphenyl)methyl]pentanamide
CID 107569508
(2S)-2-amino-N-[[4-(difluoromethoxy)phenyl]methyl]hexanamide
CID 103831064
2-amino-N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]pentanamide
CID 119305831
2-amino-N-[[4-(2-methoxyphenoxy)phenyl]methyl]pentanamide
CID 119322060
(2S)-2-amino-N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]pentanamide
CID 153327338

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[[4-(trifluoromethoxy)phenyl]methyl]pentanamide?
The IUPAC name of 2-amino-N-[[4-(trifluoromethoxy)phenyl]methyl]pentanamide (CID 61258868) is 2-amino-N-[[4-(trifluoromethoxy)phenyl]methyl]pentanamide.
What is the SMILES notation for 2-amino-N-[[4-(trifluoromethoxy)phenyl]methyl]pentanamide?
The canonical SMILES for 2-amino-N-[[4-(trifluoromethoxy)phenyl]methyl]pentanamide is CCCC(N)C(=O)NCc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 2-amino-N-[[4-(trifluoromethoxy)phenyl]methyl]pentanamide?
The InChIKey is RTDPTBMFIBMCFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2O2/c1-2-3-11(17)12(19)18-8-9-4-6-10(7-5-9)20-13(14,15)16/h4-7,11H,2-3,8,17H2,1H3,(H,18,19).
What are the key properties of 2-amino-N-[[4-(trifluoromethoxy)phenyl]methyl]pentanamide?
2-amino-N-[[4-(trifluoromethoxy)phenyl]methyl]pentanamide has a molecular weight of 290.29 g/mol, XLogP of 2.33, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[[4-(trifluoromethoxy)phenyl]methyl]pentanamide is sourced from PubChem (CID 61258868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).