2-[[3-(difluoromethoxy)-4-methoxyphenyl]methylamino]-N-methylpropanamide

C13H18F2N2O3 — CID 61057407

IUPAC2-[[3-(difluoromethoxy)-4-methoxyphenyl]methylamino]-N-methylpropanamide
SMILESCNC(=O)C(C)NCc1ccc(OC)c(OC(F)F)c1
InChIInChI=1S/C13H18F2N2O3/c1-8(12(18)16-2)17-7-9-4-5-10(19-3)11(6-9)20-13(14)15/h4-6,8,13,17H,7H2,1-3H3,(H,16,18)
InChIKeyQEOSEALWCCTHPG-UHFFFAOYSA-N
MW288.29 g/mol
LogP1.52
Rot. Bonds7

About 2-[[3-(difluoromethoxy)-4-methoxyphenyl]methylamino]-N-methylpropanamide

2-[[3-(difluoromethoxy)-4-methoxyphenyl]methylamino]-N-methylpropanamide (PubChem CID 61057407) has the molecular formula C13H18F2N2O3 and a molecular weight of 288.29 g/mol. Its IUPAC name is 2-[[3-(difluoromethoxy)-4-methoxyphenyl]methylamino]-N-methylpropanamide.

Molecular Properties

Compound Name2-[[3-(difluoromethoxy)-4-methoxyphenyl]methylamino]-N-methylpropanamide
PubChem CID61057407
Molecular FormulaC13H18F2N2O3
Molecular Weight288.29 g/mol
Exact Mass288.13
IUPAC Name2-[[3-(difluoromethoxy)-4-methoxyphenyl]methylamino]-N-methylpropanamide
SMILESCNC(=O)C(C)NCc1ccc(OC)c(OC(F)F)c1
InChIInChI=1S/C13H18F2N2O3/c1-8(12(18)16-2)17-7-9-4-5-10(19-3)11(6-9)20-13(14)15/h4-6,8,13,17H,7H2,1-3H3,(H,16,18)
InChIKeyQEOSEALWCCTHPG-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

2-[(3,4-dimethoxyphenyl)methylamino]-N-methylpropanamide
CID 43400841
(2R)-2-[(4-ethoxy-3-methoxyphenyl)methylamino]-N-methylpropanamide
CID 75494674
2-[[3-(difluoromethoxy)-4-methoxyphenyl]methylamino]pentanoic acid
CID 65054789
2-[[2-(difluoromethoxy)-3-methoxyphenyl]methylamino]-N-methylpropanamide
CID 61464281
2-[[5-chloro-2-(difluoromethoxy)phenyl]methylamino]-N-methylpropanamide
CID 61464183
(2R)-2-[[3-(difluoromethoxy)-4-methoxyphenyl]methylamino]butan-1-ol
CID 28723108
3-amino-N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]butanamide
CID 119715981
2-[[3-(difluoromethoxy)-4-methoxyphenyl]methylamino]-2-methylpropanamide
CID 61212743
2-[(3,4-difluorophenyl)methylamino]-N-methylpropanamide
CID 61057983
2-[[3-(difluoromethoxy)-4-methoxyphenyl]methylamino]-N,N-dimethylacetamide
CID 43214494
N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-3-propan-2-yloxypropan-1-amine
CID 29044259
methyl 2-fluoro-4-[[[1-(methylamino)-1-oxopropan-2-yl]amino]methyl]benzoate
CID 106699905

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(difluoromethoxy)-4-methoxyphenyl]methylamino]-N-methylpropanamide?
The IUPAC name of 2-[[3-(difluoromethoxy)-4-methoxyphenyl]methylamino]-N-methylpropanamide (CID 61057407) is 2-[[3-(difluoromethoxy)-4-methoxyphenyl]methylamino]-N-methylpropanamide.
What is the SMILES notation for 2-[[3-(difluoromethoxy)-4-methoxyphenyl]methylamino]-N-methylpropanamide?
The canonical SMILES for 2-[[3-(difluoromethoxy)-4-methoxyphenyl]methylamino]-N-methylpropanamide is CNC(=O)C(C)NCc1ccc(OC)c(OC(F)F)c1.
What is the InChIKey of 2-[[3-(difluoromethoxy)-4-methoxyphenyl]methylamino]-N-methylpropanamide?
The InChIKey is QEOSEALWCCTHPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2N2O3/c1-8(12(18)16-2)17-7-9-4-5-10(19-3)11(6-9)20-13(14)15/h4-6,8,13,17H,7H2,1-3H3,(H,16,18).
What are the key properties of 2-[[3-(difluoromethoxy)-4-methoxyphenyl]methylamino]-N-methylpropanamide?
2-[[3-(difluoromethoxy)-4-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-[[3-(difluoromethoxy)-4-methoxyphenyl]methylamino]-N-methylpropanamide is sourced from PubChem (CID 61057407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).