[4-(difluoromethoxy)-3-methoxyphenyl]methyl-[2-(2,5-dimethoxyanilino)-2-oxoethyl]-methylazanium

C20H25F2N2O5+ — CID 2657779

IUPAC[4-(difluoromethoxy)-3-methoxyphenyl]methyl-[2-(2,5-dimethoxyanilino)-2-oxoethyl]-methylazanium
SMILESCOc1ccc(OC)c(NC(=O)C[NH+](C)Cc2ccc(OC(F)F)c(OC)c2)c1
InChIInChI=1S/C20H24F2N2O5/c1-24(11-13-5-7-17(29-20(21)22)18(9-13)28-4)12-19(25)23-15-10-14(26-2)6-8-16(15)27-3/h5-10,20H,11-12H2,1-4H3,(H,23,25)/p+1
InChIKeyWFYWHCYEURPITH-UHFFFAOYSA-O
MW411.43 g/mol
LogP1.97
Rot. Bonds10

About [4-(difluoromethoxy)-3-methoxyphenyl]methyl-[2-(2,5-dimethoxyanilino)-2-oxoethyl]-methylazanium

[4-(difluoromethoxy)-3-methoxyphenyl]methyl-[2-(2,5-dimethoxyanilino)-2-oxoethyl]-methylazanium (PubChem CID 2657779) has the molecular formula C20H25F2N2O5+ and a molecular weight of 411.43 g/mol. Its IUPAC name is [4-(difluoromethoxy)-3-methoxyphenyl]methyl-[2-(2,5-dimethoxyanilino)-2-oxoethyl]-methylazanium.

Molecular Properties

Compound Name[4-(difluoromethoxy)-3-methoxyphenyl]methyl-[2-(2,5-dimethoxyanilino)-2-oxoethyl]-methylazanium
PubChem CID2657779
Molecular FormulaC20H25F2N2O5+
Molecular Weight411.43 g/mol
Exact Mass411.17
IUPAC Name[4-(difluoromethoxy)-3-methoxyphenyl]methyl-[2-(2,5-dimethoxyanilino)-2-oxoethyl]-methylazanium
SMILESCOc1ccc(OC)c(NC(=O)C[NH+](C)Cc2ccc(OC(F)F)c(OC)c2)c1
InChIInChI=1S/C20H24F2N2O5/c1-24(11-13-5-7-17(29-20(21)22)18(9-13)28-4)12-19(25)23-15-10-14(26-2)6-8-16(15)27-3/h5-10,20H,11-12H2,1-4H3,(H,23,25)/p+1
InChIKeyWFYWHCYEURPITH-UHFFFAOYSA-O
XLogP1.97
TPSA70.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.43
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [4-(difluoromethoxy)-3-methoxyphenyl]methyl-[2-(2,5-dimethoxyanilino)-2-oxoethyl]-methylazanium with MolForge

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Related Compounds

[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methyl-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]azanium
CID 2512023
[2-(2-benzoylanilino)-2-oxoethyl]-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-methylazanium
CID 2514338
[2-(2,5-dimethoxyanilino)-2-oxoethyl]-methyl-[[4-(methylcarbamoyl)phenyl]methyl]azanium
CID 9003158
(3,4-dimethoxyphenyl)methyl-[2-(4-methoxyanilino)-2-oxoethyl]-methylazanium
CID 2657497
[4-(difluoromethoxy)-3-methoxyphenyl]methyl-[2-[(3-methoxycarbonyl-4,5-dimethylthiophen-2-yl)amino]-2-oxoethyl]-methylazanium
CID 2508598
[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-[(3-methoxyphenyl)methyl]-methylazanium
CID 2698245
benzhydryl-[2-(2,5-dimethoxyanilino)-2-oxoethyl]-methylazanium
CID 8730102
[2-(2,4-dimethoxyanilino)-2-oxoethyl]-methyl-[[4-(trifluoromethyl)phenyl]methyl]azanium
CID 9221659
[2-(2,5-dimethoxyanilino)-2-oxoethyl]-methyl-[(3-methylthiophen-2-yl)methyl]azanium
CID 9433704
[2-(2,5-dichloroanilino)-2-oxoethyl]-[(3,4-dimethoxyphenyl)methyl]-methylazanium
CID 2698887
N-[2-(difluoromethoxy)-5-methoxyphenyl]-2-(methylamino)acetamide;hydrochloride
CID 119715086
2-[4-(difluoromethoxy)anilino]-N-(2,5-dimethoxyphenyl)acetamide
CID 36585879

Frequently Asked Questions

What is the IUPAC name of [4-(difluoromethoxy)-3-methoxyphenyl]methyl-[2-(2,5-dimethoxyanilino)-2-oxoethyl]-methylazanium?
The IUPAC name of [4-(difluoromethoxy)-3-methoxyphenyl]methyl-[2-(2,5-dimethoxyanilino)-2-oxoethyl]-methylazanium (CID 2657779) is [4-(difluoromethoxy)-3-methoxyphenyl]methyl-[2-(2,5-dimethoxyanilino)-2-oxoethyl]-methylazanium.
What is the SMILES notation for [4-(difluoromethoxy)-3-methoxyphenyl]methyl-[2-(2,5-dimethoxyanilino)-2-oxoethyl]-methylazanium?
The canonical SMILES for [4-(difluoromethoxy)-3-methoxyphenyl]methyl-[2-(2,5-dimethoxyanilino)-2-oxoethyl]-methylazanium is COc1ccc(OC)c(NC(=O)C[NH+](C)Cc2ccc(OC(F)F)c(OC)c2)c1.
What is the InChIKey of [4-(difluoromethoxy)-3-methoxyphenyl]methyl-[2-(2,5-dimethoxyanilino)-2-oxoethyl]-methylazanium?
The InChIKey is WFYWHCYEURPITH-UHFFFAOYSA-O. The full InChI is InChI=1S/C20H24F2N2O5/c1-24(11-13-5-7-17(29-20(21)22)18(9-13)28-4)12-19(25)23-15-10-14(26-2)6-8-16(15)27-3/h5-10,20H,11-12H2,1-4H3,(H,23,25)/p+1.
What are the key properties of [4-(difluoromethoxy)-3-methoxyphenyl]methyl-[2-(2,5-dimethoxyanilino)-2-oxoethyl]-methylazanium?
[4-(difluoromethoxy)-3-methoxyphenyl]methyl-[2-(2,5-dimethoxyanilino)-2-oxoethyl]-methylazanium has a molecular weight of 411.43 g/mol, XLogP of 1.97, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(difluoromethoxy)-3-methoxyphenyl]methyl-[2-(2,5-dimethoxyanilino)-2-oxoethyl]-methylazanium is sourced from PubChem (CID 2657779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).