[2-(4-ethoxyanilino)-2-oxoethyl]-bis(furan-2-ylmethyl)azanium

C20H23N2O4+ — CID 8841127

IUPAC[2-(4-ethoxyanilino)-2-oxoethyl]-bis(furan-2-ylmethyl)azanium
SMILESCCOc1ccc(NC(=O)C[NH+](Cc2ccco2)Cc2ccco2)cc1
InChIInChI=1S/C20H22N2O4/c1-2-24-17-9-7-16(8-10-17)21-20(23)15-22(13-18-5-3-11-25-18)14-19-6-4-12-26-19/h3-12H,2,13-15H2,1H3,(H,21,23)/p+1
InChIKeyJEKCGVFMSWIFGJ-UHFFFAOYSA-O
MW355.41 g/mol
LogP2.50
Rot. Bonds9

About [2-(4-ethoxyanilino)-2-oxoethyl]-bis(furan-2-ylmethyl)azanium

[2-(4-ethoxyanilino)-2-oxoethyl]-bis(furan-2-ylmethyl)azanium (PubChem CID 8841127) has the molecular formula C20H23N2O4+ and a molecular weight of 355.41 g/mol. Its IUPAC name is [2-(4-ethoxyanilino)-2-oxoethyl]-bis(furan-2-ylmethyl)azanium.

Molecular Properties

Compound Name[2-(4-ethoxyanilino)-2-oxoethyl]-bis(furan-2-ylmethyl)azanium
PubChem CID8841127
Molecular FormulaC20H23N2O4+
Molecular Weight355.41 g/mol
Exact Mass355.17
IUPAC Name[2-(4-ethoxyanilino)-2-oxoethyl]-bis(furan-2-ylmethyl)azanium
SMILESCCOc1ccc(NC(=O)C[NH+](Cc2ccco2)Cc2ccco2)cc1
InChIInChI=1S/C20H22N2O4/c1-2-24-17-9-7-16(8-10-17)21-20(23)15-22(13-18-5-3-11-25-18)14-19-6-4-12-26-19/h3-12H,2,13-15H2,1H3,(H,21,23)/p+1
InChIKeyJEKCGVFMSWIFGJ-UHFFFAOYSA-O
XLogP2.50
TPSA69.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.41
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(4-ethoxyanilino)-2-oxoethyl]-(furan-2-ylmethyl)-methylazanium
CID 9333787
N-[4-(4-ethoxyphenoxy)phenyl]-3-(furan-2-yl)propanamide
CID 26242410
[2-(4-ethylanilino)-2-oxoethyl]-(furan-2-ylmethyl)-(thiophen-2-ylmethyl)azanium
CID 8677565
N'-(4-ethoxyphenyl)-N-[2-(furan-2-yl)ethyl]oxamide
CID 7584904
[2-(2-ethoxycarbonylanilino)-2-oxoethyl]-bis(furan-2-ylmethyl)azanium
CID 8841120
N-(4-ethoxyphenyl)furan-2-carboxamide
CID 711236
N-(4-ethoxyphenyl)-3-[furan-2-ylmethyl(methylsulfonyl)amino]propanamide
CID 113138558
[2-(4-carbamoylanilino)-2-oxoethyl]-(furan-2-ylmethyl)-(thiophen-2-ylmethyl)azanium
CID 8677797
(1R,2R,3R,4S)-3-N-(4-ethoxyphenyl)-2-N-(furan-2-ylmethyl)-7-oxabicyclo[2.2.1]hept-5-ene-2,3-dicarboxamide
CID 1375072
(1R,2R,3S,4S)-3-N-(4-ethoxyphenyl)-2-N-(furan-2-ylmethyl)-7-oxabicyclo[2.2.1]hept-5-ene-2,3-dicarboxamide
CID 6970033
3-(4-ethoxyphenyl)-1,1-bis(furan-2-ylmethyl)thiourea
CID 4122094
[2-(4-ethoxyanilino)-2-oxoethyl]-ethyl-[2-(3-methoxyanilino)-2-oxoethyl]azanium
CID 9026269

Frequently Asked Questions

What is the IUPAC name of [2-(4-ethoxyanilino)-2-oxoethyl]-bis(furan-2-ylmethyl)azanium?
The IUPAC name of [2-(4-ethoxyanilino)-2-oxoethyl]-bis(furan-2-ylmethyl)azanium (CID 8841127) is [2-(4-ethoxyanilino)-2-oxoethyl]-bis(furan-2-ylmethyl)azanium.
What is the SMILES notation for [2-(4-ethoxyanilino)-2-oxoethyl]-bis(furan-2-ylmethyl)azanium?
The canonical SMILES for [2-(4-ethoxyanilino)-2-oxoethyl]-bis(furan-2-ylmethyl)azanium is CCOc1ccc(NC(=O)C[NH+](Cc2ccco2)Cc2ccco2)cc1.
What is the InChIKey of [2-(4-ethoxyanilino)-2-oxoethyl]-bis(furan-2-ylmethyl)azanium?
The InChIKey is JEKCGVFMSWIFGJ-UHFFFAOYSA-O. The full InChI is InChI=1S/C20H22N2O4/c1-2-24-17-9-7-16(8-10-17)21-20(23)15-22(13-18-5-3-11-25-18)14-19-6-4-12-26-19/h3-12H,2,13-15H2,1H3,(H,21,23)/p+1.
What are the key properties of [2-(4-ethoxyanilino)-2-oxoethyl]-bis(furan-2-ylmethyl)azanium?
[2-(4-ethoxyanilino)-2-oxoethyl]-bis(furan-2-ylmethyl)azanium has a molecular weight of 355.41 g/mol, XLogP of 2.50, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-ethoxyanilino)-2-oxoethyl]-bis(furan-2-ylmethyl)azanium is sourced from PubChem (CID 8841127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).