3-(4,7-dimethoxy-1,3-benzodioxol-5-yl)-N-(4-methoxyphenyl)-6-methyl-4-oxo-2,3-dihydrofuro[3,2-c]pyran-2-carboxamide

C25H23NO9 — CID 91973210

IUPAC3-(4,7-dimethoxy-1,3-benzodioxol-5-yl)-N-(4-methoxyphenyl)-6-methyl-4-oxo-2,3-dihydrofuro[3,2-c]pyran-2-carboxamide
SMILESCOc1ccc(NC(=O)C2Oc3cc(C)oc(=O)c3C2c2cc(OC)c3c(c2OC)OCO3)cc1
InChIInChI=1S/C25H23NO9/c1-12-9-16-19(25(28)34-12)18(15-10-17(30-3)21-23(20(15)31-4)33-11-32-21)22(35-16)24(27)26-13-5-7-14(29-2)8-6-13/h5-10,18,22H,11H2,1-4H3,(H,26,27)
InChIKeyFXVOKOYTISHMBB-UHFFFAOYSA-N
MW481.46 g/mol
LogP3.23
Rot. Bonds6

About 3-(4,7-dimethoxy-1,3-benzodioxol-5-yl)-N-(4-methoxyphenyl)-6-methyl-4-oxo-2,3-dihydrofuro[3,2-c]pyran-2-carboxamide

3-(4,7-dimethoxy-1,3-benzodioxol-5-yl)-N-(4-methoxyphenyl)-6-methyl-4-oxo-2,3-dihydrofuro[3,2-c]pyran-2-carboxamide (PubChem CID 91973210) has the molecular formula C25H23NO9 and a molecular weight of 481.46 g/mol. Its IUPAC name is 3-(4,7-dimethoxy-1,3-benzodioxol-5-yl)-N-(4-methoxyphenyl)-6-methyl-4-oxo-2,3-dihydrofuro[3,2-c]pyran-2-carboxamide.

Molecular Properties

Compound Name3-(4,7-dimethoxy-1,3-benzodioxol-5-yl)-N-(4-methoxyphenyl)-6-methyl-4-oxo-2,3-dihydrofuro[3,2-c]pyran-2-carboxamide
PubChem CID91973210
Molecular FormulaC25H23NO9
Molecular Weight481.46 g/mol
Exact Mass481.14
IUPAC Name3-(4,7-dimethoxy-1,3-benzodioxol-5-yl)-N-(4-methoxyphenyl)-6-methyl-4-oxo-2,3-dihydrofuro[3,2-c]pyran-2-carboxamide
SMILESCOc1ccc(NC(=O)C2Oc3cc(C)oc(=O)c3C2c2cc(OC)c3c(c2OC)OCO3)cc1
InChIInChI=1S/C25H23NO9/c1-12-9-16-19(25(28)34-12)18(15-10-17(30-3)21-23(20(15)31-4)33-11-32-21)22(35-16)24(27)26-13-5-7-14(29-2)8-6-13/h5-10,18,22H,11H2,1-4H3,(H,26,27)
InChIKeyFXVOKOYTISHMBB-UHFFFAOYSA-N
XLogP3.23
TPSA114.69 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.46
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

methyl 3-(4,7-dimethoxy-1,3-benzodioxol-5-yl)-6-methyl-4-oxo-2,3-dihydrofuro[3,2-c]pyran-2-carboxylate
CID 91973057
(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
(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
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3-hydroxy-4-methoxyphenyl)-6-methyl-4-oxo-2,3-dihydrofuro[3,2-c]pyran-2-carboxamide
CID 91973221
(2R,3R)-3-(2,4-dimethoxyphenyl)-N-(4-methoxyphenyl)-4-oxo-2,3-dihydrofuro[3,2-c]chromene-2-carboxamide
CID 97424575
methyl (2S,3R)-6-methyl-4-oxo-3-(3,4,5-trimethoxyphenyl)-2,3-dihydrofuro[3,2-c]pyran-2-carboxylate
CID 97037909
(2S,3R)-3-(4-hydroxy-3,5-dimethoxyphenyl)-N-(4-methoxyphenyl)-4-oxo-2,3-dihydrofuro[3,2-c]chromene-2-carboxamide
CID 97424428
methyl 3-(1,3-benzodioxol-5-yl)-6-methyl-4-oxo-2,3-dihydrofuro[3,2-c]pyran-2-carboxylate
CID 91973030
(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
(2R,3R)-N-(4-methoxyphenyl)-4-oxo-3-phenyl-2,3-dihydrofuro[3,2-c]chromene-2-carboxamide
CID 97423987
(2R,3R)-N-(4-methoxyphenyl)-4-oxo-3-(2,3,4-trifluorophenyl)-2,3-dihydrofuro[3,2-c]chromene-2-carboxamide
CID 97426759

Frequently Asked Questions

What is the IUPAC name of 3-(4,7-dimethoxy-1,3-benzodioxol-5-yl)-N-(4-methoxyphenyl)-6-methyl-4-oxo-2,3-dihydrofuro[3,2-c]pyran-2-carboxamide?
The IUPAC name of 3-(4,7-dimethoxy-1,3-benzodioxol-5-yl)-N-(4-methoxyphenyl)-6-methyl-4-oxo-2,3-dihydrofuro[3,2-c]pyran-2-carboxamide (CID 91973210) is 3-(4,7-dimethoxy-1,3-benzodioxol-5-yl)-N-(4-methoxyphenyl)-6-methyl-4-oxo-2,3-dihydrofuro[3,2-c]pyran-2-carboxamide.
What is the SMILES notation for 3-(4,7-dimethoxy-1,3-benzodioxol-5-yl)-N-(4-methoxyphenyl)-6-methyl-4-oxo-2,3-dihydrofuro[3,2-c]pyran-2-carboxamide?
The canonical SMILES for 3-(4,7-dimethoxy-1,3-benzodioxol-5-yl)-N-(4-methoxyphenyl)-6-methyl-4-oxo-2,3-dihydrofuro[3,2-c]pyran-2-carboxamide is COc1ccc(NC(=O)C2Oc3cc(C)oc(=O)c3C2c2cc(OC)c3c(c2OC)OCO3)cc1.
What is the InChIKey of 3-(4,7-dimethoxy-1,3-benzodioxol-5-yl)-N-(4-methoxyphenyl)-6-methyl-4-oxo-2,3-dihydrofuro[3,2-c]pyran-2-carboxamide?
The InChIKey is FXVOKOYTISHMBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23NO9/c1-12-9-16-19(25(28)34-12)18(15-10-17(30-3)21-23(20(15)31-4)33-11-32-21)22(35-16)24(27)26-13-5-7-14(29-2)8-6-13/h5-10,18,22H,11H2,1-4H3,(H,26,27).
What are the key properties of 3-(4,7-dimethoxy-1,3-benzodioxol-5-yl)-N-(4-methoxyphenyl)-6-methyl-4-oxo-2,3-dihydrofuro[3,2-c]pyran-2-carboxamide?
3-(4,7-dimethoxy-1,3-benzodioxol-5-yl)-N-(4-methoxyphenyl)-6-methyl-4-oxo-2,3-dihydrofuro[3,2-c]pyran-2-carboxamide has a molecular weight of 481.46 g/mol, XLogP of 3.23, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,7-dimethoxy-1,3-benzodioxol-5-yl)-N-(4-methoxyphenyl)-6-methyl-4-oxo-2,3-dihydrofuro[3,2-c]pyran-2-carboxamide is sourced from PubChem (CID 91973210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).