ethyl 4-(1,3-benzodioxol-5-yloxy)-3-[(2-methylfuran-3-carbonyl)amino]benzoate

C22H19NO7 — CID 16763731

IUPACethyl 4-(1,3-benzodioxol-5-yloxy)-3-[(2-methylfuran-3-carbonyl)amino]benzoate
SMILESCCOC(=O)c1ccc(Oc2ccc3c(c2)OCO3)c(NC(=O)c2ccoc2C)c1
InChIInChI=1S/C22H19NO7/c1-3-26-22(25)14-4-6-18(30-15-5-7-19-20(11-15)29-12-28-19)17(10-14)23-21(24)16-8-9-27-13(16)2/h4-11H,3,12H2,1-2H3,(H,23,24)
InChIKeyYVYBMZFRBPSTRA-UHFFFAOYSA-N
MW409.39 g/mol
LogP4.54
Rot. Bonds6

About ethyl 4-(1,3-benzodioxol-5-yloxy)-3-[(2-methylfuran-3-carbonyl)amino]benzoate

ethyl 4-(1,3-benzodioxol-5-yloxy)-3-[(2-methylfuran-3-carbonyl)amino]benzoate (PubChem CID 16763731) has the molecular formula C22H19NO7 and a molecular weight of 409.39 g/mol. Its IUPAC name is ethyl 4-(1,3-benzodioxol-5-yloxy)-3-[(2-methylfuran-3-carbonyl)amino]benzoate.

Molecular Properties

Compound Nameethyl 4-(1,3-benzodioxol-5-yloxy)-3-[(2-methylfuran-3-carbonyl)amino]benzoate
PubChem CID16763731
Molecular FormulaC22H19NO7
Molecular Weight409.39 g/mol
Exact Mass409.12
IUPAC Nameethyl 4-(1,3-benzodioxol-5-yloxy)-3-[(2-methylfuran-3-carbonyl)amino]benzoate
SMILESCCOC(=O)c1ccc(Oc2ccc3c(c2)OCO3)c(NC(=O)c2ccoc2C)c1
InChIInChI=1S/C22H19NO7/c1-3-26-22(25)14-4-6-18(30-15-5-7-19-20(11-15)29-12-28-19)17(10-14)23-21(24)16-8-9-27-13(16)2/h4-11H,3,12H2,1-2H3,(H,23,24)
InChIKeyYVYBMZFRBPSTRA-UHFFFAOYSA-N
XLogP4.54
TPSA96.23 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.39
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze ethyl 4-(1,3-benzodioxol-5-yloxy)-3-[(2-methylfuran-3-carbonyl)amino]benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-(1,3-benzodioxol-5-yloxy)phenyl]-2-methylfuran-3-carboxamide
CID 16762169
(4-ethoxycarbonylphenyl)methyl 1,3-benzodioxole-5-carboxylate
CID 3926657
ethyl 3-bromo-4-[(2-bromofuran-3-carbonyl)amino]benzoate
CID 106853094
ethyl 2-[[2-(1,3-benzodioxol-5-yloxy)acetyl]amino]benzoate
CID 17310220
ethyl 2-(1,3-benzodioxole-5-carbonylamino)-5-[(2,5-dimethoxyphenyl)carbamoyl]-4-methylthiophene-3-carboxylate
CID 17063166
ethyl 4-[[(2-methylfuran-3-carbonyl)amino]sulfamoyl]benzoate
CID 8615778
butyl 4-[(2-methylfuran-3-carbonyl)amino]benzoate
CID 2163924
[2-(1,3-benzodioxol-5-yl)-2-oxoethyl] 3-(ethoxymethyl)-4-methoxybenzoate
CID 8619126
ethyl 2-(1,3-benzodioxole-5-carbonyl)benzoate
CID 132515397
diethyl 2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosa-1(22),9(14),10,12,23,25-hexaene-11,24-dicarboxylate
CID 3590202
ethyl 2,3,5,6-tetrahydro-1,4,7-benzotrioxonine-9-carboxylate
CID 138479505
ethyl 4-[3-(1,3-benzodioxol-5-yl)-3-oxoprop-1-enyl]benzoate
CID 90707946

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(1,3-benzodioxol-5-yloxy)-3-[(2-methylfuran-3-carbonyl)amino]benzoate?
The IUPAC name of ethyl 4-(1,3-benzodioxol-5-yloxy)-3-[(2-methylfuran-3-carbonyl)amino]benzoate (CID 16763731) is ethyl 4-(1,3-benzodioxol-5-yloxy)-3-[(2-methylfuran-3-carbonyl)amino]benzoate.
What is the SMILES notation for ethyl 4-(1,3-benzodioxol-5-yloxy)-3-[(2-methylfuran-3-carbonyl)amino]benzoate?
The canonical SMILES for ethyl 4-(1,3-benzodioxol-5-yloxy)-3-[(2-methylfuran-3-carbonyl)amino]benzoate is CCOC(=O)c1ccc(Oc2ccc3c(c2)OCO3)c(NC(=O)c2ccoc2C)c1.
What is the InChIKey of ethyl 4-(1,3-benzodioxol-5-yloxy)-3-[(2-methylfuran-3-carbonyl)amino]benzoate?
The InChIKey is YVYBMZFRBPSTRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19NO7/c1-3-26-22(25)14-4-6-18(30-15-5-7-19-20(11-15)29-12-28-19)17(10-14)23-21(24)16-8-9-27-13(16)2/h4-11H,3,12H2,1-2H3,(H,23,24).
What are the key properties of ethyl 4-(1,3-benzodioxol-5-yloxy)-3-[(2-methylfuran-3-carbonyl)amino]benzoate?
ethyl 4-(1,3-benzodioxol-5-yloxy)-3-[(2-methylfuran-3-carbonyl)amino]benzoate has a molecular weight of 409.39 g/mol, XLogP of 4.54, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(1,3-benzodioxol-5-yloxy)-3-[(2-methylfuran-3-carbonyl)amino]benzoate is sourced from PubChem (CID 16763731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).