2-[[2-(difluoromethoxy)-3-methoxyphenyl]methylamino]-N-methylpropanamide

C13H18F2N2O3 — CID 61464281

IUPAC2-[[2-(difluoromethoxy)-3-methoxyphenyl]methylamino]-N-methylpropanamide
SMILESCNC(=O)C(C)NCc1cccc(OC)c1OC(F)F
InChIInChI=1S/C13H18F2N2O3/c1-8(12(18)16-2)17-7-9-5-4-6-10(19-3)11(9)20-13(14)15/h4-6,8,13,17H,7H2,1-3H3,(H,16,18)
InChIKeyVGXSYHNWAQXXQX-UHFFFAOYSA-N
MW288.29 g/mol
LogP1.52
Rot. Bonds7

About 2-[[2-(difluoromethoxy)-3-methoxyphenyl]methylamino]-N-methylpropanamide

2-[[2-(difluoromethoxy)-3-methoxyphenyl]methylamino]-N-methylpropanamide (PubChem CID 61464281) has the molecular formula C13H18F2N2O3 and a molecular weight of 288.29 g/mol. Its IUPAC name is 2-[[2-(difluoromethoxy)-3-methoxyphenyl]methylamino]-N-methylpropanamide.

Molecular Properties

Compound Name2-[[2-(difluoromethoxy)-3-methoxyphenyl]methylamino]-N-methylpropanamide
PubChem CID61464281
Molecular FormulaC13H18F2N2O3
Molecular Weight288.29 g/mol
Exact Mass288.13
IUPAC Name2-[[2-(difluoromethoxy)-3-methoxyphenyl]methylamino]-N-methylpropanamide
SMILESCNC(=O)C(C)NCc1cccc(OC)c1OC(F)F
InChIInChI=1S/C13H18F2N2O3/c1-8(12(18)16-2)17-7-9-5-4-6-10(19-3)11(9)20-13(14)15/h4-6,8,13,17H,7H2,1-3H3,(H,16,18)
InChIKeyVGXSYHNWAQXXQX-UHFFFAOYSA-N
XLogP1.52
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.29
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-ethylpentan-2-amine
CID 63842094
methyl 2-[[2-(difluoromethoxy)-3-methoxyphenyl]methylamino]-2-methylpropanoate
CID 43726123
2-[[2-(difluoromethoxy)-3-methoxyphenyl]methylamino]-3-methoxypropan-1-ol
CID 106187407
2-[[3-(difluoromethoxy)-4-methoxyphenyl]methylamino]-N-methylpropanamide
CID 61057407
2-[[5-chloro-2-(difluoromethoxy)phenyl]methylamino]-N-methylpropanamide
CID 61464183
methyl 2-[[2-(difluoromethoxy)phenyl]methylamino]propanoate
CID 60780590
2-[(2-ethoxy-3-methoxyphenyl)methylamino]propanoic acid
CID 66525793
4-[[2-(difluoromethoxy)-3-methoxyphenyl]methylamino]-3-methylbutan-1-ol
CID 66089640
N-[[2-(difluoromethoxy)-3-methoxyphenyl]methyl]-1-(1H-1,2,4-triazol-5-yl)ethanamine
CID 103952905
2-[[2-(difluoromethoxy)-3-methoxyphenyl]methylamino]-N-propylacetamide
CID 43406329
N-methyl-2-[[2-(trifluoromethoxy)phenyl]methylamino]propanamide
CID 60702927
N-[[2-(difluoromethoxy)-3-methoxyphenyl]methyl]-3,4-dimethylaniline
CID 78883616

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(difluoromethoxy)-3-methoxyphenyl]methylamino]-N-methylpropanamide?
The IUPAC name of 2-[[2-(difluoromethoxy)-3-methoxyphenyl]methylamino]-N-methylpropanamide (CID 61464281) is 2-[[2-(difluoromethoxy)-3-methoxyphenyl]methylamino]-N-methylpropanamide.
What is the SMILES notation for 2-[[2-(difluoromethoxy)-3-methoxyphenyl]methylamino]-N-methylpropanamide?
The canonical SMILES for 2-[[2-(difluoromethoxy)-3-methoxyphenyl]methylamino]-N-methylpropanamide is CNC(=O)C(C)NCc1cccc(OC)c1OC(F)F.
What is the InChIKey of 2-[[2-(difluoromethoxy)-3-methoxyphenyl]methylamino]-N-methylpropanamide?
The InChIKey is VGXSYHNWAQXXQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2N2O3/c1-8(12(18)16-2)17-7-9-5-4-6-10(19-3)11(9)20-13(14)15/h4-6,8,13,17H,7H2,1-3H3,(H,16,18).
What are the key properties of 2-[[2-(difluoromethoxy)-3-methoxyphenyl]methylamino]-N-methylpropanamide?
2-[[2-(difluoromethoxy)-3-methoxyphenyl]methylamino]-N-methylpropanamide has a molecular weight of 288.29 g/mol, XLogP of 1.52, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(difluoromethoxy)-3-methoxyphenyl]methylamino]-N-methylpropanamide is sourced from PubChem (CID 61464281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).