[2-(2,3-dimethylanilino)-2-oxoethyl]-[(4-methoxycarbonyl-5-methylfuran-2-yl)methyl]-methylazanium

C19H25N2O4+ — CID 9287448

IUPAC[2-(2,3-dimethylanilino)-2-oxoethyl]-[(4-methoxycarbonyl-5-methylfuran-2-yl)methyl]-methylazanium
SMILESCOC(=O)c1cc(C[NH+](C)CC(=O)Nc2cccc(C)c2C)oc1C
InChIInChI=1S/C19H24N2O4/c1-12-7-6-8-17(13(12)2)20-18(22)11-21(4)10-15-9-16(14(3)25-15)19(23)24-5/h6-9H,10-11H2,1-5H3,(H,20,22)/p+1
InChIKeyHKYVDTYJARRIBA-UHFFFAOYSA-O
MW345.42 g/mol
LogP1.64
Rot. Bonds6

About [2-(2,3-dimethylanilino)-2-oxoethyl]-[(4-methoxycarbonyl-5-methylfuran-2-yl)methyl]-methylazanium

[2-(2,3-dimethylanilino)-2-oxoethyl]-[(4-methoxycarbonyl-5-methylfuran-2-yl)methyl]-methylazanium (PubChem CID 9287448) has the molecular formula C19H25N2O4+ and a molecular weight of 345.42 g/mol. Its IUPAC name is [2-(2,3-dimethylanilino)-2-oxoethyl]-[(4-methoxycarbonyl-5-methylfuran-2-yl)methyl]-methylazanium.

Molecular Properties

Compound Name[2-(2,3-dimethylanilino)-2-oxoethyl]-[(4-methoxycarbonyl-5-methylfuran-2-yl)methyl]-methylazanium
PubChem CID9287448
Molecular FormulaC19H25N2O4+
Molecular Weight345.42 g/mol
Exact Mass345.18
IUPAC Name[2-(2,3-dimethylanilino)-2-oxoethyl]-[(4-methoxycarbonyl-5-methylfuran-2-yl)methyl]-methylazanium
SMILESCOC(=O)c1cc(C[NH+](C)CC(=O)Nc2cccc(C)c2C)oc1C
InChIInChI=1S/C19H24N2O4/c1-12-7-6-8-17(13(12)2)20-18(22)11-21(4)10-15-9-16(14(3)25-15)19(23)24-5/h6-9H,10-11H2,1-5H3,(H,20,22)/p+1
InChIKeyHKYVDTYJARRIBA-UHFFFAOYSA-O
XLogP1.64
TPSA72.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [2-(2,3-dimethylanilino)-2-oxoethyl]-[(4-methoxycarbonyl-5-methylfuran-2-yl)methyl]-methylazanium with MolForge

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Related Compounds

(4,5-dimethoxy-2-methylphenyl)methyl-[2-[[2-(2,3-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl]-methylazanium
CID 8551992
methyl 2-methyl-5-[(2-methylanilino)methyl]furan-3-carboxylate
CID 43222319
[2-(3-chloro-2-methylanilino)-2-oxoethyl]-[2-(2,3-dimethylanilino)-2-oxoethyl]-methylazanium
CID 9287833
[2-(2,3-dimethylanilino)-2-oxoethyl]-[(4-ethoxy-3-methoxyphenyl)methyl]-methylazanium
CID 2656783
[2-(2,3-dimethylanilino)-2-oxoethyl]-[2-(3,4-dimethylanilino)-2-oxoethyl]-methylazanium
CID 9287839
(4,6-diamino-1,3,5-triazin-2-yl)methyl-[2-(2,3-dimethylanilino)-2-oxoethyl]-methylazanium
CID 9043228
[2-(dimethylamino)-2-oxoethyl]-[2-(2,3-dimethylanilino)-2-oxoethyl]-methylazanium
CID 8711968
methyl 3-(2,3-dimethylanilino)-3-oxopropanoate
CID 14278404
[2-(4-bromo-2-methylanilino)-2-oxoethyl]-[2-(2,3-dimethylanilino)-2-oxoethyl]-methylazanium
CID 9303392
[2-(2,3-dimethylanilino)-2-oxoethyl]-methyl-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]azanium
CID 2657991
[2-(2,3-dimethylanilino)-2-oxoethyl]-methyl-[(5-phenyl-1,3-oxazol-2-yl)methyl]azanium
CID 9287564
[2-(5-chloro-2-fluoroanilino)-2-oxoethyl]-[2-(2,3-dimethylanilino)-2-oxoethyl]-methylazanium
CID 9287746

Frequently Asked Questions

What is the IUPAC name of [2-(2,3-dimethylanilino)-2-oxoethyl]-[(4-methoxycarbonyl-5-methylfuran-2-yl)methyl]-methylazanium?
The IUPAC name of [2-(2,3-dimethylanilino)-2-oxoethyl]-[(4-methoxycarbonyl-5-methylfuran-2-yl)methyl]-methylazanium (CID 9287448) is [2-(2,3-dimethylanilino)-2-oxoethyl]-[(4-methoxycarbonyl-5-methylfuran-2-yl)methyl]-methylazanium.
What is the SMILES notation for [2-(2,3-dimethylanilino)-2-oxoethyl]-[(4-methoxycarbonyl-5-methylfuran-2-yl)methyl]-methylazanium?
The canonical SMILES for [2-(2,3-dimethylanilino)-2-oxoethyl]-[(4-methoxycarbonyl-5-methylfuran-2-yl)methyl]-methylazanium is COC(=O)c1cc(C[NH+](C)CC(=O)Nc2cccc(C)c2C)oc1C.
What is the InChIKey of [2-(2,3-dimethylanilino)-2-oxoethyl]-[(4-methoxycarbonyl-5-methylfuran-2-yl)methyl]-methylazanium?
The InChIKey is HKYVDTYJARRIBA-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H24N2O4/c1-12-7-6-8-17(13(12)2)20-18(22)11-21(4)10-15-9-16(14(3)25-15)19(23)24-5/h6-9H,10-11H2,1-5H3,(H,20,22)/p+1.
What are the key properties of [2-(2,3-dimethylanilino)-2-oxoethyl]-[(4-methoxycarbonyl-5-methylfuran-2-yl)methyl]-methylazanium?
[2-(2,3-dimethylanilino)-2-oxoethyl]-[(4-methoxycarbonyl-5-methylfuran-2-yl)methyl]-methylazanium has a molecular weight of 345.42 g/mol, XLogP of 1.64, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,3-dimethylanilino)-2-oxoethyl]-[(4-methoxycarbonyl-5-methylfuran-2-yl)methyl]-methylazanium is sourced from PubChem (CID 9287448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).