2-amino-N-[[3-(2,2-difluoroethoxy)phenyl]methyl]pentanamide

C14H20F2N2O2 — CID 119315367

IUPAC2-amino-N-[[3-(2,2-difluoroethoxy)phenyl]methyl]pentanamide
SMILESCCCC(N)C(=O)NCc1cccc(OCC(F)F)c1
InChIInChI=1S/C14H20F2N2O2/c1-2-4-12(17)14(19)18-8-10-5-3-6-11(7-10)20-9-13(15)16/h3,5-7,12-13H,2,4,8-9,17H2,1H3,(H,18,19)
InChIKeyPIXMRTUPVCDYPY-UHFFFAOYSA-N
MW286.32 g/mol
LogP2.07
Rot. Bonds8

About 2-amino-N-[[3-(2,2-difluoroethoxy)phenyl]methyl]pentanamide

2-amino-N-[[3-(2,2-difluoroethoxy)phenyl]methyl]pentanamide (PubChem CID 119315367) has the molecular formula C14H20F2N2O2 and a molecular weight of 286.32 g/mol. Its IUPAC name is 2-amino-N-[[3-(2,2-difluoroethoxy)phenyl]methyl]pentanamide.

Molecular Properties

Compound Name2-amino-N-[[3-(2,2-difluoroethoxy)phenyl]methyl]pentanamide
PubChem CID119315367
Molecular FormulaC14H20F2N2O2
Molecular Weight286.32 g/mol
Exact Mass286.15
IUPAC Name2-amino-N-[[3-(2,2-difluoroethoxy)phenyl]methyl]pentanamide
SMILESCCCC(N)C(=O)NCc1cccc(OCC(F)F)c1
InChIInChI=1S/C14H20F2N2O2/c1-2-4-12(17)14(19)18-8-10-5-3-6-11(7-10)20-9-13(15)16/h3,5-7,12-13H,2,4,8-9,17H2,1H3,(H,18,19)
InChIKeyPIXMRTUPVCDYPY-UHFFFAOYSA-N
XLogP2.07
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.32
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[[3-(2-methylpropoxy)phenyl]methyl]pentanamide
CID 119304653
2-amino-N-[(3-ethoxyphenyl)methyl]pentanamide
CID 60872985
(2S)-2-amino-N-[(3-methoxyphenyl)methyl]pentanamide
CID 107568769
(2S)-2-amino-N-[[3-(2,2-difluoroethoxy)phenyl]methyl]-3-phenylpropanamide;hydrochloride
CID 119315356
(2S)-2-amino-N-[[3-(2,2-difluoroethoxy)phenyl]methyl]-3,3-dimethylbutanamide
CID 119769412
(2S)-2-amino-N-[[3-(difluoromethoxy)phenyl]methyl]-4-methylsulfanylbutanamide
CID 119311563
2-amino-N-[(3-methylphenyl)methyl]pentanamide;hydrochloride
CID 119281680
2-amino-N-benzylpentanamide
CID 11020044
3-[[[(2R)-2-aminopentanoyl]amino]methyl]benzamide
CID 103795148
2-amino-N-[[3-(2,2-difluoroethoxy)phenyl]methyl]-2-(oxan-4-yl)acetamide
CID 120791700
(2S)-2-amino-N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]pentanamide
CID 153327338
2-amino-N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]pentanamide;hydrochloride
CID 119283180

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[[3-(2,2-difluoroethoxy)phenyl]methyl]pentanamide?
The IUPAC name of 2-amino-N-[[3-(2,2-difluoroethoxy)phenyl]methyl]pentanamide (CID 119315367) is 2-amino-N-[[3-(2,2-difluoroethoxy)phenyl]methyl]pentanamide.
What is the SMILES notation for 2-amino-N-[[3-(2,2-difluoroethoxy)phenyl]methyl]pentanamide?
The canonical SMILES for 2-amino-N-[[3-(2,2-difluoroethoxy)phenyl]methyl]pentanamide is CCCC(N)C(=O)NCc1cccc(OCC(F)F)c1.
What is the InChIKey of 2-amino-N-[[3-(2,2-difluoroethoxy)phenyl]methyl]pentanamide?
The InChIKey is PIXMRTUPVCDYPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2N2O2/c1-2-4-12(17)14(19)18-8-10-5-3-6-11(7-10)20-9-13(15)16/h3,5-7,12-13H,2,4,8-9,17H2,1H3,(H,18,19).
What are the key properties of 2-amino-N-[[3-(2,2-difluoroethoxy)phenyl]methyl]pentanamide?
2-amino-N-[[3-(2,2-difluoroethoxy)phenyl]methyl]pentanamide has a molecular weight of 286.32 g/mol, XLogP of 2.07, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[[3-(2,2-difluoroethoxy)phenyl]methyl]pentanamide is sourced from PubChem (CID 119315367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).