2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-N-(2,4-dimethoxyphenyl)propanamide

C20H24F2N2O4 — CID 86918893

IUPAC2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-N-(2,4-dimethoxyphenyl)propanamide
SMILESCOc1ccc(NC(=O)C(C)N(C)Cc2ccc(OC(F)F)cc2)c(OC)c1
InChIInChI=1S/C20H24F2N2O4/c1-13(19(25)23-17-10-9-16(26-3)11-18(17)27-4)24(2)12-14-5-7-15(8-6-14)28-20(21)22/h5-11,13,20H,12H2,1-4H3,(H,23,25)
InChIKeyLWTFGFYQHULGOQ-UHFFFAOYSA-N
MW394.42 g/mol
LogP3.76
Rot. Bonds9

About 2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-N-(2,4-dimethoxyphenyl)propanamide

2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-N-(2,4-dimethoxyphenyl)propanamide (PubChem CID 86918893) has the molecular formula C20H24F2N2O4 and a molecular weight of 394.42 g/mol. Its IUPAC name is 2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-N-(2,4-dimethoxyphenyl)propanamide.

Molecular Properties

Compound Name2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-N-(2,4-dimethoxyphenyl)propanamide
PubChem CID86918893
Molecular FormulaC20H24F2N2O4
Molecular Weight394.42 g/mol
Exact Mass394.17
IUPAC Name2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-N-(2,4-dimethoxyphenyl)propanamide
SMILESCOc1ccc(NC(=O)C(C)N(C)Cc2ccc(OC(F)F)cc2)c(OC)c1
InChIInChI=1S/C20H24F2N2O4/c1-13(19(25)23-17-10-9-16(26-3)11-18(17)27-4)24(2)12-14-5-7-15(8-6-14)28-20(21)22/h5-11,13,20H,12H2,1-4H3,(H,23,25)
InChIKeyLWTFGFYQHULGOQ-UHFFFAOYSA-N
XLogP3.76
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.42
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(difluoromethoxy)phenyl]-2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]propanamide
CID 18094148
2-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylamino]-N-(4-methoxy-2-nitrophenyl)propanamide
CID 46632237
N-(2,5-dimethoxyphenyl)-2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]propanamide
CID 51171449
2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-N-[(3-methoxyphenyl)methyl]propanamide
CID 134038490
(2S)-2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-N-phenylpropanamide
CID 7995629
(2S)-2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-N-(2-methoxyphenyl)propanamide
CID 9054255
2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-N-propan-2-ylpropanamide
CID 78701766
N-(2-cyanophenyl)-2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]propanamide
CID 51168369
(2S)-2-[(4-methoxyphenyl)methyl-methylamino]-N-(2,3,4-trifluorophenyl)propanamide
CID 2574471
2-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylamino]-N-(2,4-dimethylphenyl)propanamide
CID 46632198
N-(2-chloro-4-fluorophenyl)-2-[(4-methoxyphenyl)methyl-methylamino]propanamide
CID 51168197
N-(2-methoxyphenyl)-2-[methyl-[[4-(trifluoromethoxy)phenyl]methyl]amino]propanamide
CID 46573624

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-N-(2,4-dimethoxyphenyl)propanamide?
The IUPAC name of 2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-N-(2,4-dimethoxyphenyl)propanamide (CID 86918893) is 2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-N-(2,4-dimethoxyphenyl)propanamide.
What is the SMILES notation for 2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-N-(2,4-dimethoxyphenyl)propanamide?
The canonical SMILES for 2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-N-(2,4-dimethoxyphenyl)propanamide is COc1ccc(NC(=O)C(C)N(C)Cc2ccc(OC(F)F)cc2)c(OC)c1.
What is the InChIKey of 2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-N-(2,4-dimethoxyphenyl)propanamide?
The InChIKey is LWTFGFYQHULGOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24F2N2O4/c1-13(19(25)23-17-10-9-16(26-3)11-18(17)27-4)24(2)12-14-5-7-15(8-6-14)28-20(21)22/h5-11,13,20H,12H2,1-4H3,(H,23,25).
What are the key properties of 2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-N-(2,4-dimethoxyphenyl)propanamide?
2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-N-(2,4-dimethoxyphenyl)propanamide has a molecular weight of 394.42 g/mol, XLogP of 3.76, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-N-(2,4-dimethoxyphenyl)propanamide is sourced from PubChem (CID 86918893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).