2-amino-N-[1-[2-(difluoromethoxy)phenyl]ethyl]-2-methylbutanamide

C14H20F2N2O2 — CID 79797474

IUPAC2-amino-N-[1-[2-(difluoromethoxy)phenyl]ethyl]-2-methylbutanamide
SMILESCCC(C)(N)C(=O)NC(C)c1ccccc1OC(F)F
InChIInChI=1S/C14H20F2N2O2/c1-4-14(3,17)12(19)18-9(2)10-7-5-6-8-11(10)20-13(15)16/h5-9,13H,4,17H2,1-3H3,(H,18,19)
InChIKeyGLYXNGUWLCSUAV-UHFFFAOYSA-N
MW286.32 g/mol
LogP2.59
Rot. Bonds6

About 2-amino-N-[1-[2-(difluoromethoxy)phenyl]ethyl]-2-methylbutanamide

2-amino-N-[1-[2-(difluoromethoxy)phenyl]ethyl]-2-methylbutanamide (PubChem CID 79797474) has the molecular formula C14H20F2N2O2 and a molecular weight of 286.32 g/mol. Its IUPAC name is 2-amino-N-[1-[2-(difluoromethoxy)phenyl]ethyl]-2-methylbutanamide.

Molecular Properties

Compound Name2-amino-N-[1-[2-(difluoromethoxy)phenyl]ethyl]-2-methylbutanamide
PubChem CID79797474
Molecular FormulaC14H20F2N2O2
Molecular Weight286.32 g/mol
Exact Mass286.15
IUPAC Name2-amino-N-[1-[2-(difluoromethoxy)phenyl]ethyl]-2-methylbutanamide
SMILESCCC(C)(N)C(=O)NC(C)c1ccccc1OC(F)F
InChIInChI=1S/C14H20F2N2O2/c1-4-14(3,17)12(19)18-9(2)10-7-5-6-8-11(10)20-13(15)16/h5-9,13H,4,17H2,1-3H3,(H,18,19)
InChIKeyGLYXNGUWLCSUAV-UHFFFAOYSA-N
XLogP2.59
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.32
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[1-[2-(difluoromethoxy)phenyl]ethyl]-2-ethylbutanamide
CID 79813978
2-amino-N-[1-[2-(difluoromethoxy)phenyl]ethyl]-2-methylpropanamide;hydrochloride
CID 119285570
2-amino-N-[1-[2-(difluoromethoxy)phenyl]ethyl]propanamide
CID 43709973
(2S)-2-amino-N-[1-[2-(difluoromethoxy)phenyl]ethyl]butanamide;hydrochloride
CID 119285586
2-amino-2-ethyl-N-[1-(2-methoxyphenyl)ethyl]butanamide
CID 79815252
2-amino-2-ethyl-N-[(1S)-1-(2-methoxyphenyl)ethyl]butanamide
CID 81387544
4-amino-N-[1-[2-(difluoromethoxy)phenyl]ethyl]-2-methylbutanamide
CID 80543450
N-[1-[2-(difluoromethoxy)phenyl]ethyl]-2-methoxypropanamide
CID 112685807
N-[1-[2-(difluoromethoxy)phenyl]ethyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119716596
methyl 2-[1-[2-(difluoromethoxy)phenyl]ethylamino]butanoate
CID 115352796
3-amino-N-[1-[2-(difluoromethoxy)phenyl]ethyl]-3-phenylpropanamide;hydrochloride
CID 119949678
2-[1-[2-(difluoromethoxy)phenyl]ethylamino]butanoic acid
CID 115352797

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-[2-(difluoromethoxy)phenyl]ethyl]-2-methylbutanamide?
The IUPAC name of 2-amino-N-[1-[2-(difluoromethoxy)phenyl]ethyl]-2-methylbutanamide (CID 79797474) is 2-amino-N-[1-[2-(difluoromethoxy)phenyl]ethyl]-2-methylbutanamide.
What is the SMILES notation for 2-amino-N-[1-[2-(difluoromethoxy)phenyl]ethyl]-2-methylbutanamide?
The canonical SMILES for 2-amino-N-[1-[2-(difluoromethoxy)phenyl]ethyl]-2-methylbutanamide is CCC(C)(N)C(=O)NC(C)c1ccccc1OC(F)F.
What is the InChIKey of 2-amino-N-[1-[2-(difluoromethoxy)phenyl]ethyl]-2-methylbutanamide?
The InChIKey is GLYXNGUWLCSUAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2N2O2/c1-4-14(3,17)12(19)18-9(2)10-7-5-6-8-11(10)20-13(15)16/h5-9,13H,4,17H2,1-3H3,(H,18,19).
What are the key properties of 2-amino-N-[1-[2-(difluoromethoxy)phenyl]ethyl]-2-methylbutanamide?
2-amino-N-[1-[2-(difluoromethoxy)phenyl]ethyl]-2-methylbutanamide has a molecular weight of 286.32 g/mol, XLogP of 2.59, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[1-[2-(difluoromethoxy)phenyl]ethyl]-2-methylbutanamide is sourced from PubChem (CID 79797474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).