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

C24H21NO8 — CID 91973221

IUPACN-(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
SMILESCOc1ccc(C2c3c(cc(C)oc3=O)OC2C(=O)Nc2ccc3c(c2)OCCO3)cc1O
InChIInChI=1S/C24H21NO8/c1-12-9-19-21(24(28)32-12)20(13-3-5-16(29-2)15(26)10-13)22(33-19)23(27)25-14-4-6-17-18(11-14)31-8-7-30-17/h3-6,9-11,20,22,26H,7-8H2,1-2H3,(H,25,27)
InChIKeyHECBTMOQTNGWRJ-UHFFFAOYSA-N
MW451.43 g/mol
LogP2.97
Rot. Bonds4

About 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

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 (PubChem CID 91973221) has the molecular formula C24H21NO8 and a molecular weight of 451.43 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-(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
PubChem CID91973221
Molecular FormulaC24H21NO8
Molecular Weight451.43 g/mol
Exact Mass451.13
IUPAC NameN-(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
SMILESCOc1ccc(C2c3c(cc(C)oc3=O)OC2C(=O)Nc2ccc3c(c2)OCCO3)cc1O
InChIInChI=1S/C24H21NO8/c1-12-9-19-21(24(28)32-12)20(13-3-5-16(29-2)15(26)10-13)22(33-19)23(27)25-14-4-6-17-18(11-14)31-8-7-30-17/h3-6,9-11,20,22,26H,7-8H2,1-2H3,(H,25,27)
InChIKeyHECBTMOQTNGWRJ-UHFFFAOYSA-N
XLogP2.97
TPSA116.46 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.43
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 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 with MolForge

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Related Compounds

methyl 3-(1,3-benzodioxol-5-yl)-6-methyl-4-oxo-2,3-dihydrofuro[3,2-c]pyran-2-carboxylate
CID 91973030
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
methyl (2S,3R)-6-methyl-4-oxo-3-(3,4,5-trimethoxyphenyl)-2,3-dihydrofuro[3,2-c]pyran-2-carboxylate
CID 97037909
N-(3-amino-4-methoxyphenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropane-1-carboxamide;hydrochloride
CID 119420322
2-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-N-(2,4-dimethoxyphenyl)cyclopropane-1,2-dicarboxamide
CID 109143680
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-methoxy-2,5-dimethylphenyl)acetamide
CID 110768018
(2R,3R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(4-methoxyphenyl)-5-oxooxolane-3-carboxamide
CID 95166692
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(4-methoxyphenyl)-5-oxooxolane-3-carboxamide
CID 46949162
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
trans-(1S,2S)-1-N,2-N-bis(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methylidenecyclopropane-1,2-dicarboxamide
CID 11881118
methyl 3-(3-hydroxy-4-methoxyphenyl)-4-oxo-2,3-dihydrofuro[3,2-c]chromene-2-carboxylate
CID 91972956
(1R,6R)-6-[(3-hydroxy-4-methoxyphenyl)carbamoyl]cyclohex-3-ene-1-carboxylate
CID 8893564

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COc1ccc(C2c3c(cc(C)oc3=O)OC2C(=O)Nc2ccc3c(c2)OCCO3)cc1O.
What is the InChIKey of 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?
The InChIKey is HECBTMOQTNGWRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21NO8/c1-12-9-19-21(24(28)32-12)20(13-3-5-16(29-2)15(26)10-13)22(33-19)23(27)25-14-4-6-17-18(11-14)31-8-7-30-17/h3-6,9-11,20,22,26H,7-8H2,1-2H3,(H,25,27).
What are the key properties of 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?
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 has a molecular weight of 451.43 g/mol, XLogP of 2.97, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 91973221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).