[2-(2-ethoxycarbonylanilino)-2-oxoethyl]-bis(furan-2-ylmethyl)azanium

C21H23N2O5+ — CID 8841120

IUPAC[2-(2-ethoxycarbonylanilino)-2-oxoethyl]-bis(furan-2-ylmethyl)azanium
SMILESCCOC(=O)c1ccccc1NC(=O)C[NH+](Cc1ccco1)Cc1ccco1
InChIInChI=1S/C21H22N2O5/c1-2-26-21(25)18-9-3-4-10-19(18)22-20(24)15-23(13-16-7-5-11-27-16)14-17-8-6-12-28-17/h3-12H,2,13-15H2,1H3,(H,22,24)/p+1
InChIKeyMOFQAXPVKHWWQD-UHFFFAOYSA-O
MW383.42 g/mol
LogP2.27
Rot. Bonds9

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

[2-(2-ethoxycarbonylanilino)-2-oxoethyl]-bis(furan-2-ylmethyl)azanium (PubChem CID 8841120) has the molecular formula C21H23N2O5+ and a molecular weight of 383.42 g/mol. Its IUPAC name is [2-(2-ethoxycarbonylanilino)-2-oxoethyl]-bis(furan-2-ylmethyl)azanium.

Molecular Properties

Compound Name[2-(2-ethoxycarbonylanilino)-2-oxoethyl]-bis(furan-2-ylmethyl)azanium
PubChem CID8841120
Molecular FormulaC21H23N2O5+
Molecular Weight383.42 g/mol
Exact Mass383.16
IUPAC Name[2-(2-ethoxycarbonylanilino)-2-oxoethyl]-bis(furan-2-ylmethyl)azanium
SMILESCCOC(=O)c1ccccc1NC(=O)C[NH+](Cc1ccco1)Cc1ccco1
InChIInChI=1S/C21H22N2O5/c1-2-26-21(25)18-9-3-4-10-19(18)22-20(24)15-23(13-16-7-5-11-27-16)14-17-8-6-12-28-17/h3-12H,2,13-15H2,1H3,(H,22,24)/p+1
InChIKeyMOFQAXPVKHWWQD-UHFFFAOYSA-O
XLogP2.27
TPSA86.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.42
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-(propanoylamino)benzoate
CID 4190428
[2-(4-ethoxyanilino)-2-oxoethyl]-bis(furan-2-ylmethyl)azanium
CID 8841127
ethyl 2-[[2-(2-aminophenyl)acetyl]amino]benzoate
CID 28712736
bis(furan-2-ylmethyl)-[2-oxo-2-(2,4,5-trichloroanilino)ethyl]azanium
CID 8840703
[2-(2-ethoxycarbonylanilino)-2-oxoethyl]-[(2-fluorophenyl)methyl]-methylazanium
CID 9035217
ethyl 2-[[2-(methanesulfonamido)acetyl]amino]benzoate
CID 113001765
2-[2-(2-ethoxycarbonylanilino)-2-oxoethoxy]acetic acid
CID 60662085
[2-[(1-ethoxycarbonylpiperidin-4-yl)amino]-2-oxoethyl]-bis(furan-2-ylmethyl)azanium
CID 8842192
[2-(2,5-difluoroanilino)-2-oxoethyl]-bis(furan-2-ylmethyl)azanium
CID 8841313
ethyl 2-[3-(2-methyl-1,3-oxazol-4-yl)propanoylamino]benzoate
CID 110679362
ethyl 2-[[2-(2-methoxycarbonylanilino)-2-oxoethyl]amino]benzoate
CID 109010102
ethyl 2-[[4-(2-chlorophenyl)-4-oxobutanoyl]amino]benzoate
CID 110428348

Frequently Asked Questions

What is the IUPAC name of [2-(2-ethoxycarbonylanilino)-2-oxoethyl]-bis(furan-2-ylmethyl)azanium?
The IUPAC name of [2-(2-ethoxycarbonylanilino)-2-oxoethyl]-bis(furan-2-ylmethyl)azanium (CID 8841120) is [2-(2-ethoxycarbonylanilino)-2-oxoethyl]-bis(furan-2-ylmethyl)azanium.
What is the SMILES notation for [2-(2-ethoxycarbonylanilino)-2-oxoethyl]-bis(furan-2-ylmethyl)azanium?
The canonical SMILES for [2-(2-ethoxycarbonylanilino)-2-oxoethyl]-bis(furan-2-ylmethyl)azanium is CCOC(=O)c1ccccc1NC(=O)C[NH+](Cc1ccco1)Cc1ccco1.
What is the InChIKey of [2-(2-ethoxycarbonylanilino)-2-oxoethyl]-bis(furan-2-ylmethyl)azanium?
The InChIKey is MOFQAXPVKHWWQD-UHFFFAOYSA-O. The full InChI is InChI=1S/C21H22N2O5/c1-2-26-21(25)18-9-3-4-10-19(18)22-20(24)15-23(13-16-7-5-11-27-16)14-17-8-6-12-28-17/h3-12H,2,13-15H2,1H3,(H,22,24)/p+1.
What are the key properties of [2-(2-ethoxycarbonylanilino)-2-oxoethyl]-bis(furan-2-ylmethyl)azanium?
[2-(2-ethoxycarbonylanilino)-2-oxoethyl]-bis(furan-2-ylmethyl)azanium has a molecular weight of 383.42 g/mol, XLogP of 2.27, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-ethoxycarbonylanilino)-2-oxoethyl]-bis(furan-2-ylmethyl)azanium is sourced from PubChem (CID 8841120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).