ethyl-[(3-fluoro-4-methoxyphenyl)methyl]-[2-(2-methoxycarbonylanilino)-2-oxoethyl]azanium

C20H24FN2O4+ — CID 9349183

IUPACethyl-[(3-fluoro-4-methoxyphenyl)methyl]-[2-(2-methoxycarbonylanilino)-2-oxoethyl]azanium
SMILESCC[NH+](CC(=O)Nc1ccccc1C(=O)OC)Cc1ccc(OC)c(F)c1
InChIInChI=1S/C20H23FN2O4/c1-4-23(12-14-9-10-18(26-2)16(21)11-14)13-19(24)22-17-8-6-5-7-15(17)20(25)27-3/h5-11H,4,12-13H2,1-3H3,(H,22,24)/p+1
InChIKeyHKYQJMHOGPOTDI-UHFFFAOYSA-O
MW375.42 g/mol
LogP1.66
Rot. Bonds8

About ethyl-[(3-fluoro-4-methoxyphenyl)methyl]-[2-(2-methoxycarbonylanilino)-2-oxoethyl]azanium

ethyl-[(3-fluoro-4-methoxyphenyl)methyl]-[2-(2-methoxycarbonylanilino)-2-oxoethyl]azanium (PubChem CID 9349183) has the molecular formula C20H24FN2O4+ and a molecular weight of 375.42 g/mol. Its IUPAC name is ethyl-[(3-fluoro-4-methoxyphenyl)methyl]-[2-(2-methoxycarbonylanilino)-2-oxoethyl]azanium.

Molecular Properties

Compound Nameethyl-[(3-fluoro-4-methoxyphenyl)methyl]-[2-(2-methoxycarbonylanilino)-2-oxoethyl]azanium
PubChem CID9349183
Molecular FormulaC20H24FN2O4+
Molecular Weight375.42 g/mol
Exact Mass375.17
IUPAC Nameethyl-[(3-fluoro-4-methoxyphenyl)methyl]-[2-(2-methoxycarbonylanilino)-2-oxoethyl]azanium
SMILESCC[NH+](CC(=O)Nc1ccccc1C(=O)OC)Cc1ccc(OC)c(F)c1
InChIInChI=1S/C20H23FN2O4/c1-4-23(12-14-9-10-18(26-2)16(21)11-14)13-19(24)22-17-8-6-5-7-15(17)20(25)27-3/h5-11H,4,12-13H2,1-3H3,(H,22,24)/p+1
InChIKeyHKYQJMHOGPOTDI-UHFFFAOYSA-O
XLogP1.66
TPSA69.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.42
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3-fluoro-4-methoxyphenyl)methyl-[2-(2-methoxycarbonylanilino)-2-oxoethyl]-methylazanium
CID 9431684
ethyl-[(3-fluoro-4-methoxyphenyl)methyl]-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]azanium
CID 9349147
[2-(2,3-dichloroanilino)-2-oxoethyl]-ethyl-[(3-fluoro-4-methoxyphenyl)methyl]azanium
CID 9349163
benzyl-ethyl-[2-(2-methoxycarbonylanilino)-2-oxoethyl]azanium
CID 8541461
[2-(2,5-dimethylanilino)-2-oxoethyl]-ethyl-[(3-fluoro-4-methoxyphenyl)methyl]azanium
CID 9349145
ethyl-[(3-fluoro-4-methoxyphenyl)methyl]-[2-(4-methylanilino)-2-oxoethyl]azanium
CID 9349101
ethyl-[2-(ethylcarbamoylamino)-2-oxoethyl]-[(3-fluoro-4-methoxyphenyl)methyl]azanium
CID 9349287
ethyl-[(3-fluoro-4-methoxyphenyl)methyl]-[2-[3-(methylcarbamoyl)anilino]-2-oxoethyl]azanium
CID 8912321
ethyl-[(3-fluoro-4-methoxyphenyl)methyl]-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]azanium
CID 9349205
[2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl]-ethyl-[(3-fluoro-4-methoxyphenyl)methyl]azanium
CID 9349399
ethyl-[2-[[2-(4-fluoroanilino)-2-oxoethyl]amino]-2-oxoethyl]-[(3-fluoro-4-methoxyphenyl)methyl]azanium
CID 9349411
[2-(cyclopentylcarbamoylamino)-2-oxoethyl]-ethyl-[(3-fluoro-4-methoxyphenyl)methyl]azanium
CID 9349301

Frequently Asked Questions

What is the IUPAC name of ethyl-[(3-fluoro-4-methoxyphenyl)methyl]-[2-(2-methoxycarbonylanilino)-2-oxoethyl]azanium?
The IUPAC name of ethyl-[(3-fluoro-4-methoxyphenyl)methyl]-[2-(2-methoxycarbonylanilino)-2-oxoethyl]azanium (CID 9349183) is ethyl-[(3-fluoro-4-methoxyphenyl)methyl]-[2-(2-methoxycarbonylanilino)-2-oxoethyl]azanium.
What is the SMILES notation for ethyl-[(3-fluoro-4-methoxyphenyl)methyl]-[2-(2-methoxycarbonylanilino)-2-oxoethyl]azanium?
The canonical SMILES for ethyl-[(3-fluoro-4-methoxyphenyl)methyl]-[2-(2-methoxycarbonylanilino)-2-oxoethyl]azanium is CC[NH+](CC(=O)Nc1ccccc1C(=O)OC)Cc1ccc(OC)c(F)c1.
What is the InChIKey of ethyl-[(3-fluoro-4-methoxyphenyl)methyl]-[2-(2-methoxycarbonylanilino)-2-oxoethyl]azanium?
The InChIKey is HKYQJMHOGPOTDI-UHFFFAOYSA-O. The full InChI is InChI=1S/C20H23FN2O4/c1-4-23(12-14-9-10-18(26-2)16(21)11-14)13-19(24)22-17-8-6-5-7-15(17)20(25)27-3/h5-11H,4,12-13H2,1-3H3,(H,22,24)/p+1.
What are the key properties of ethyl-[(3-fluoro-4-methoxyphenyl)methyl]-[2-(2-methoxycarbonylanilino)-2-oxoethyl]azanium?
ethyl-[(3-fluoro-4-methoxyphenyl)methyl]-[2-(2-methoxycarbonylanilino)-2-oxoethyl]azanium has a molecular weight of 375.42 g/mol, XLogP of 1.66, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl-[(3-fluoro-4-methoxyphenyl)methyl]-[2-(2-methoxycarbonylanilino)-2-oxoethyl]azanium is sourced from PubChem (CID 9349183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).