3-(1,3-benzodioxol-5-yl)-4-oxo-N-phenyl-2,3-dihydrofuro[3,2-c]chromene-2-carboxamide

C25H17NO6 — CID 71827009

IUPAC3-(1,3-benzodioxol-5-yl)-4-oxo-N-phenyl-2,3-dihydrofuro[3,2-c]chromene-2-carboxamide
SMILESO=C(Nc1ccccc1)C1Oc2c(c(=O)oc3ccccc23)C1c1ccc2c(c1)OCO2
InChIInChI=1S/C25H17NO6/c27-24(26-15-6-2-1-3-7-15)23-20(14-10-11-18-19(12-14)30-13-29-18)21-22(32-23)16-8-4-5-9-17(16)31-25(21)28/h1-12,20,23H,13H2,(H,26,27)
InChIKeyDIPKETFSIRQTSN-UHFFFAOYSA-N
MW427.41 g/mol
LogP4.05
Rot. Bonds3

About 3-(1,3-benzodioxol-5-yl)-4-oxo-N-phenyl-2,3-dihydrofuro[3,2-c]chromene-2-carboxamide

3-(1,3-benzodioxol-5-yl)-4-oxo-N-phenyl-2,3-dihydrofuro[3,2-c]chromene-2-carboxamide (PubChem CID 71827009) has the molecular formula C25H17NO6 and a molecular weight of 427.41 g/mol. Its IUPAC name is 3-(1,3-benzodioxol-5-yl)-4-oxo-N-phenyl-2,3-dihydrofuro[3,2-c]chromene-2-carboxamide.

Molecular Properties

Compound Name3-(1,3-benzodioxol-5-yl)-4-oxo-N-phenyl-2,3-dihydrofuro[3,2-c]chromene-2-carboxamide
PubChem CID71827009
Molecular FormulaC25H17NO6
Molecular Weight427.41 g/mol
Exact Mass427.11
IUPAC Name3-(1,3-benzodioxol-5-yl)-4-oxo-N-phenyl-2,3-dihydrofuro[3,2-c]chromene-2-carboxamide
SMILESO=C(Nc1ccccc1)C1Oc2c(c(=O)oc3ccccc23)C1c1ccc2c(c1)OCO2
InChIInChI=1S/C25H17NO6/c27-24(26-15-6-2-1-3-7-15)23-20(14-10-11-18-19(12-14)30-13-29-18)21-22(32-23)16-8-4-5-9-17(16)31-25(21)28/h1-12,20,23H,13H2,(H,26,27)
InChIKeyDIPKETFSIRQTSN-UHFFFAOYSA-N
XLogP4.05
TPSA87.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.41
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

Analyze 3-(1,3-benzodioxol-5-yl)-4-oxo-N-phenyl-2,3-dihydrofuro[3,2-c]chromene-2-carboxamide 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

methyl (2R,3S)-3-(1,3-benzodioxol-5-yl)-4-oxo-2,3-dihydrofuro[3,2-c]chromene-2-carboxylate
CID 97037809
methyl 3-(1,3-benzodioxol-5-yl)-4-oxo-2,3-dihydrofuro[3,2-c]chromene-2-carboxylate
CID 91972961
(2S,3R)-3-(7-methoxy-1,3-benzodioxol-5-yl)-N-(4-methoxyphenyl)-4-oxo-2,3-dihydrofuro[3,2-c]chromene-2-carboxamide
CID 97425420
(2R,3R)-N-(4-methoxyphenyl)-4-oxo-3-phenyl-2,3-dihydrofuro[3,2-c]chromene-2-carboxamide
CID 97423987
(2R,3R)-3-(3-hydroxy-4-methoxyphenyl)-N-(4-methoxyphenyl)-4-oxo-2,3-dihydrofuro[3,2-c]chromene-2-carboxamide
CID 97423917
(2S,3R)-3-(4-hydroxy-3-methoxyphenyl)-N-(4-methoxyphenyl)-4-oxo-2,3-dihydrofuro[3,2-c]chromene-2-carboxamide
CID 97425099
(2S,3R)-3-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-N-(4-methoxyphenyl)-4-oxo-2,3-dihydrofuro[3,2-c]chromene-2-carboxamide
CID 97424316
3-(4-hydroxy-3-methoxyphenyl)-N-(3-methoxyphenyl)-4-oxo-2,3-dihydrofuro[3,2-c]chromene-2-carboxamide
CID 71826456
(2R,3S)-4-oxo-N-phenyl-3-propan-2-yl-2,3-dihydrofuro[3,2-c]chromene-2-carboxamide
CID 97424848
(2S,3R)-N-(4-methoxyphenyl)-4-oxo-3-(4-propan-2-ylphenyl)-2,3-dihydrofuro[3,2-c]chromene-2-carboxamide
CID 97425547
(2S,3S)-3-(4,7-dimethoxy-1,3-benzodioxol-5-yl)-4-oxo-N-(3,4,5-trimethoxyphenyl)-2,3-dihydrofuro[3,2-c]chromene-2-carboxamide
CID 98085575
(2R,3S)-3-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]-N-(4-methoxyphenyl)-4-oxo-2,3-dihydrofuro[3,2-c]chromene-2-carboxamide
CID 97424864

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-benzodioxol-5-yl)-4-oxo-N-phenyl-2,3-dihydrofuro[3,2-c]chromene-2-carboxamide?
The IUPAC name of 3-(1,3-benzodioxol-5-yl)-4-oxo-N-phenyl-2,3-dihydrofuro[3,2-c]chromene-2-carboxamide (CID 71827009) is 3-(1,3-benzodioxol-5-yl)-4-oxo-N-phenyl-2,3-dihydrofuro[3,2-c]chromene-2-carboxamide.
What is the SMILES notation for 3-(1,3-benzodioxol-5-yl)-4-oxo-N-phenyl-2,3-dihydrofuro[3,2-c]chromene-2-carboxamide?
The canonical SMILES for 3-(1,3-benzodioxol-5-yl)-4-oxo-N-phenyl-2,3-dihydrofuro[3,2-c]chromene-2-carboxamide is O=C(Nc1ccccc1)C1Oc2c(c(=O)oc3ccccc23)C1c1ccc2c(c1)OCO2.
What is the InChIKey of 3-(1,3-benzodioxol-5-yl)-4-oxo-N-phenyl-2,3-dihydrofuro[3,2-c]chromene-2-carboxamide?
The InChIKey is DIPKETFSIRQTSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17NO6/c27-24(26-15-6-2-1-3-7-15)23-20(14-10-11-18-19(12-14)30-13-29-18)21-22(32-23)16-8-4-5-9-17(16)31-25(21)28/h1-12,20,23H,13H2,(H,26,27).
What are the key properties of 3-(1,3-benzodioxol-5-yl)-4-oxo-N-phenyl-2,3-dihydrofuro[3,2-c]chromene-2-carboxamide?
3-(1,3-benzodioxol-5-yl)-4-oxo-N-phenyl-2,3-dihydrofuro[3,2-c]chromene-2-carboxamide has a molecular weight of 427.41 g/mol, XLogP of 4.05, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-benzodioxol-5-yl)-4-oxo-N-phenyl-2,3-dihydrofuro[3,2-c]chromene-2-carboxamide is sourced from PubChem (CID 71827009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).