[5-(4-ethoxycarbonylphenyl)furan-2-yl]methyl-(furan-2-ylmethyl)azanium

C19H20NO4+ — CID 8617875

IUPAC[5-(4-ethoxycarbonylphenyl)furan-2-yl]methyl-(furan-2-ylmethyl)azanium
SMILESCCOC(=O)c1ccc(-c2ccc(C[NH2+]Cc3ccco3)o2)cc1
InChIInChI=1S/C19H19NO4/c1-2-22-19(21)15-7-5-14(6-8-15)18-10-9-17(24-18)13-20-12-16-4-3-11-23-16/h3-11,20H,2,12-13H2,1H3/p+1
InChIKeyOEAJXGMYCVDGBM-UHFFFAOYSA-O
MW326.37 g/mol
LogP2.98
Rot. Bonds7

About [5-(4-ethoxycarbonylphenyl)furan-2-yl]methyl-(furan-2-ylmethyl)azanium

[5-(4-ethoxycarbonylphenyl)furan-2-yl]methyl-(furan-2-ylmethyl)azanium (PubChem CID 8617875) has the molecular formula C19H20NO4+ and a molecular weight of 326.37 g/mol. Its IUPAC name is [5-(4-ethoxycarbonylphenyl)furan-2-yl]methyl-(furan-2-ylmethyl)azanium.

Molecular Properties

Compound Name[5-(4-ethoxycarbonylphenyl)furan-2-yl]methyl-(furan-2-ylmethyl)azanium
PubChem CID8617875
Molecular FormulaC19H20NO4+
Molecular Weight326.37 g/mol
Exact Mass326.14
IUPAC Name[5-(4-ethoxycarbonylphenyl)furan-2-yl]methyl-(furan-2-ylmethyl)azanium
SMILESCCOC(=O)c1ccc(-c2ccc(C[NH2+]Cc3ccco3)o2)cc1
InChIInChI=1S/C19H19NO4/c1-2-22-19(21)15-7-5-14(6-8-15)18-10-9-17(24-18)13-20-12-16-4-3-11-23-16/h3-11,20H,2,12-13H2,1H3/p+1
InChIKeyOEAJXGMYCVDGBM-UHFFFAOYSA-O
XLogP2.98
TPSA69.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.37
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [5-(4-ethoxycarbonylphenyl)furan-2-yl]methyl-(furan-2-ylmethyl)azanium with MolForge

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Related Compounds

cyclopropyl-[[5-(4-ethoxycarbonylphenyl)furan-2-yl]methyl]azanium
CID 8617769
2-(3,4-dimethoxyphenyl)ethyl-[[5-(4-ethoxycarbonylphenyl)furan-2-yl]methyl]azanium
CID 8617227
ethyl 4-(5-sulfanylfuran-2-yl)benzoate
CID 139299977
ethyl 4-[5-[(Z)-[[2-(furan-2-ylmethylamino)-2-oxoacetyl]hydrazinylidene]methyl]furan-2-yl]benzoate
CID 9352907
ethyl 4-[5-[(Z)-2-cyano-3-(furan-2-ylmethylamino)-3-oxoprop-1-enyl]furan-2-yl]benzoate
CID 6384498
ethyl 4-[5-[(cyclopropylamino)methyl]furan-2-yl]benzoate
CID 4722679
(2-chlorophenyl)methyl-[[5-(4-methoxycarbonylphenyl)furan-2-yl]methyl]azanium
CID 8636553
ethyl 4-(5-carbonochloridoylfuran-2-yl)benzoate
CID 3131522
ethyl 4-[5-[[2-(2-hydroxypropylamino)ethylamino]methyl]furan-2-yl]benzoate;dihydrochloride
CID 17331156
ethyl 4-[5-[(cyclohexylamino)methyl]furan-2-yl]benzoate
CID 4722636
ethyl 4-[5-[(2,4,4-trimethylpentan-2-ylamino)methyl]furan-2-yl]benzoate;hydrochloride
CID 17331166
ethyl 4-[5-[[(1-ethyltetrazol-5-yl)amino]methyl]furan-2-yl]benzoate
CID 4726325

Frequently Asked Questions

What is the IUPAC name of [5-(4-ethoxycarbonylphenyl)furan-2-yl]methyl-(furan-2-ylmethyl)azanium?
The IUPAC name of [5-(4-ethoxycarbonylphenyl)furan-2-yl]methyl-(furan-2-ylmethyl)azanium (CID 8617875) is [5-(4-ethoxycarbonylphenyl)furan-2-yl]methyl-(furan-2-ylmethyl)azanium.
What is the SMILES notation for [5-(4-ethoxycarbonylphenyl)furan-2-yl]methyl-(furan-2-ylmethyl)azanium?
The canonical SMILES for [5-(4-ethoxycarbonylphenyl)furan-2-yl]methyl-(furan-2-ylmethyl)azanium is CCOC(=O)c1ccc(-c2ccc(C[NH2+]Cc3ccco3)o2)cc1.
What is the InChIKey of [5-(4-ethoxycarbonylphenyl)furan-2-yl]methyl-(furan-2-ylmethyl)azanium?
The InChIKey is OEAJXGMYCVDGBM-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H19NO4/c1-2-22-19(21)15-7-5-14(6-8-15)18-10-9-17(24-18)13-20-12-16-4-3-11-23-16/h3-11,20H,2,12-13H2,1H3/p+1.
What are the key properties of [5-(4-ethoxycarbonylphenyl)furan-2-yl]methyl-(furan-2-ylmethyl)azanium?
[5-(4-ethoxycarbonylphenyl)furan-2-yl]methyl-(furan-2-ylmethyl)azanium has a molecular weight of 326.37 g/mol, XLogP of 2.98, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-ethoxycarbonylphenyl)furan-2-yl]methyl-(furan-2-ylmethyl)azanium is sourced from PubChem (CID 8617875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).