5-methoxy-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-yl-2,3-dihydro-1,4-benzodioxine-7-carboxamide

C22H23NO6 — CID 24647231

IUPAC5-methoxy-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-yl-2,3-dihydro-1,4-benzodioxine-7-carboxamide
SMILESCOc1cc(C(=O)Nc2ccc3c(c2)OC2(CCCCC2)O3)cc2c1OCCO2
InChIInChI=1S/C22H23NO6/c1-25-18-11-14(12-19-20(18)27-10-9-26-19)21(24)23-15-5-6-16-17(13-15)29-22(28-16)7-3-2-4-8-22/h5-6,11-13H,2-4,7-10H2,1H3,(H,23,24)
InChIKeyGZFFMKUQOLCRPA-UHFFFAOYSA-N
MW397.43 g/mol
LogP4.15
Rot. Bonds3

About 5-methoxy-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-yl-2,3-dihydro-1,4-benzodioxine-7-carboxamide

5-methoxy-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-yl-2,3-dihydro-1,4-benzodioxine-7-carboxamide (PubChem CID 24647231) has the molecular formula C22H23NO6 and a molecular weight of 397.43 g/mol. Its IUPAC name is 5-methoxy-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-yl-2,3-dihydro-1,4-benzodioxine-7-carboxamide.

Molecular Properties

Compound Name5-methoxy-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-yl-2,3-dihydro-1,4-benzodioxine-7-carboxamide
PubChem CID24647231
Molecular FormulaC22H23NO6
Molecular Weight397.43 g/mol
Exact Mass397.15
IUPAC Name5-methoxy-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-yl-2,3-dihydro-1,4-benzodioxine-7-carboxamide
SMILESCOc1cc(C(=O)Nc2ccc3c(c2)OC2(CCCCC2)O3)cc2c1OCCO2
InChIInChI=1S/C22H23NO6/c1-25-18-11-14(12-19-20(18)27-10-9-26-19)21(24)23-15-5-6-16-17(13-15)29-22(28-16)7-3-2-4-8-22/h5-6,11-13H,2-4,7-10H2,1H3,(H,23,24)
InChIKeyGZFFMKUQOLCRPA-UHFFFAOYSA-N
XLogP4.15
TPSA75.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.43
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-iodophenyl)-5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxamide
CID 8777302
N-(4-carbamoylphenyl)-5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxamide
CID 8777323
3-(dimethylsulfamoyl)-4-methoxy-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylbenzamide
CID 46664848
2,3-dimethoxy-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylbenzamide
CID 29293162
4-(methoxymethyl)-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylbenzamide
CID 42280468
6-methyl-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylpyridine-3-carboxamide
CID 51333086
N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxamide
CID 17481972
5-methoxy-N-propan-2-yl-2,3-dihydro-1,4-benzodioxine-7-carboxamide
CID 17394860
5-methoxy-N-(3-nitrophenyl)-2,3-dihydro-1,4-benzodioxine-7-carboxamide
CID 9040810
N-(1-cyanocyclopentyl)-5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxamide
CID 86913663
3-methyl-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylbenzamide
CID 26173901
N-cyclohexyl-5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxamide
CID 8777048

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-yl-2,3-dihydro-1,4-benzodioxine-7-carboxamide?
The IUPAC name of 5-methoxy-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-yl-2,3-dihydro-1,4-benzodioxine-7-carboxamide (CID 24647231) is 5-methoxy-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-yl-2,3-dihydro-1,4-benzodioxine-7-carboxamide.
What is the SMILES notation for 5-methoxy-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-yl-2,3-dihydro-1,4-benzodioxine-7-carboxamide?
The canonical SMILES for 5-methoxy-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-yl-2,3-dihydro-1,4-benzodioxine-7-carboxamide is COc1cc(C(=O)Nc2ccc3c(c2)OC2(CCCCC2)O3)cc2c1OCCO2.
What is the InChIKey of 5-methoxy-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-yl-2,3-dihydro-1,4-benzodioxine-7-carboxamide?
The InChIKey is GZFFMKUQOLCRPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO6/c1-25-18-11-14(12-19-20(18)27-10-9-26-19)21(24)23-15-5-6-16-17(13-15)29-22(28-16)7-3-2-4-8-22/h5-6,11-13H,2-4,7-10H2,1H3,(H,23,24).
What are the key properties of 5-methoxy-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-yl-2,3-dihydro-1,4-benzodioxine-7-carboxamide?
5-methoxy-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-yl-2,3-dihydro-1,4-benzodioxine-7-carboxamide has a molecular weight of 397.43 g/mol, XLogP of 4.15, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-yl-2,3-dihydro-1,4-benzodioxine-7-carboxamide is sourced from PubChem (CID 24647231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).