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

C14H20F2N2O2 — CID 80543450

IUPAC4-amino-N-[1-[2-(difluoromethoxy)phenyl]ethyl]-2-methylbutanamide
SMILESCC(CCN)C(=O)NC(C)c1ccccc1OC(F)F
InChIInChI=1S/C14H20F2N2O2/c1-9(7-8-17)13(19)18-10(2)11-5-3-4-6-12(11)20-14(15)16/h3-6,9-10,14H,7-8,17H2,1-2H3,(H,18,19)
InChIKeyGLLXXBBNATUXCH-UHFFFAOYSA-N
MW286.32 g/mol
LogP2.45
Rot. Bonds7

About 4-amino-N-[1-[2-(difluoromethoxy)phenyl]ethyl]-2-methylbutanamide

4-amino-N-[1-[2-(difluoromethoxy)phenyl]ethyl]-2-methylbutanamide (PubChem CID 80543450) has the molecular formula C14H20F2N2O2 and a molecular weight of 286.32 g/mol. Its IUPAC name is 4-amino-N-[1-[2-(difluoromethoxy)phenyl]ethyl]-2-methylbutanamide.

Molecular Properties

Compound Name4-amino-N-[1-[2-(difluoromethoxy)phenyl]ethyl]-2-methylbutanamide
PubChem CID80543450
Molecular FormulaC14H20F2N2O2
Molecular Weight286.32 g/mol
Exact Mass286.15
IUPAC Name4-amino-N-[1-[2-(difluoromethoxy)phenyl]ethyl]-2-methylbutanamide
SMILESCC(CCN)C(=O)NC(C)c1ccccc1OC(F)F
InChIInChI=1S/C14H20F2N2O2/c1-9(7-8-17)13(19)18-10(2)11-5-3-4-6-12(11)20-14(15)16/h3-6,9-10,14H,7-8,17H2,1-2H3,(H,18,19)
InChIKeyGLLXXBBNATUXCH-UHFFFAOYSA-N
XLogP2.45
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.32
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[2-(difluoromethoxy)phenyl]ethyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119716596
2-amino-N-[1-[2-(difluoromethoxy)phenyl]ethyl]propanamide
CID 43709973
N-[1-[2-(difluoromethoxy)phenyl]ethyl]-2-methoxypropanamide
CID 112685807
(2S)-2-amino-N-[1-[2-(difluoromethoxy)phenyl]ethyl]butanamide;hydrochloride
CID 119285586
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]-2-methylbutanamide
CID 79797474
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
N-[1-[2-(difluoromethoxy)phenyl]ethyl]furan-3-carboxamide
CID 42953720
2-[2-[1-[2-(difluoromethoxy)phenyl]ethylamino]-2-oxoethyl]sulfanylacetic acid
CID 104569362

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[1-[2-(difluoromethoxy)phenyl]ethyl]-2-methylbutanamide?
The IUPAC name of 4-amino-N-[1-[2-(difluoromethoxy)phenyl]ethyl]-2-methylbutanamide (CID 80543450) is 4-amino-N-[1-[2-(difluoromethoxy)phenyl]ethyl]-2-methylbutanamide.
What is the SMILES notation for 4-amino-N-[1-[2-(difluoromethoxy)phenyl]ethyl]-2-methylbutanamide?
The canonical SMILES for 4-amino-N-[1-[2-(difluoromethoxy)phenyl]ethyl]-2-methylbutanamide is CC(CCN)C(=O)NC(C)c1ccccc1OC(F)F.
What is the InChIKey of 4-amino-N-[1-[2-(difluoromethoxy)phenyl]ethyl]-2-methylbutanamide?
The InChIKey is GLLXXBBNATUXCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2N2O2/c1-9(7-8-17)13(19)18-10(2)11-5-3-4-6-12(11)20-14(15)16/h3-6,9-10,14H,7-8,17H2,1-2H3,(H,18,19).
What are the key properties of 4-amino-N-[1-[2-(difluoromethoxy)phenyl]ethyl]-2-methylbutanamide?
4-amino-N-[1-[2-(difluoromethoxy)phenyl]ethyl]-2-methylbutanamide has a molecular weight of 286.32 g/mol, XLogP of 2.45, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[1-[2-(difluoromethoxy)phenyl]ethyl]-2-methylbutanamide is sourced from PubChem (CID 80543450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).