2,3-dimethoxy-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylbenzamide

C21H23NO5 — CID 29293162

IUPAC2,3-dimethoxy-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylbenzamide
SMILESCOc1cccc(C(=O)Nc2ccc3c(c2)OC2(CCCCC2)O3)c1OC
InChIInChI=1S/C21H23NO5/c1-24-17-8-6-7-15(19(17)25-2)20(23)22-14-9-10-16-18(13-14)27-21(26-16)11-4-3-5-12-21/h6-10,13H,3-5,11-12H2,1-2H3,(H,22,23)
InChIKeyGZXQEFBNTCTTCT-UHFFFAOYSA-N
MW369.42 g/mol
LogP4.39
Rot. Bonds4

About 2,3-dimethoxy-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylbenzamide

2,3-dimethoxy-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylbenzamide (PubChem CID 29293162) has the molecular formula C21H23NO5 and a molecular weight of 369.42 g/mol. Its IUPAC name is 2,3-dimethoxy-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylbenzamide.

Molecular Properties

Compound Name2,3-dimethoxy-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylbenzamide
PubChem CID29293162
Molecular FormulaC21H23NO5
Molecular Weight369.42 g/mol
Exact Mass369.16
IUPAC Name2,3-dimethoxy-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylbenzamide
SMILESCOc1cccc(C(=O)Nc2ccc3c(c2)OC2(CCCCC2)O3)c1OC
InChIInChI=1S/C21H23NO5/c1-24-17-8-6-7-15(19(17)25-2)20(23)22-14-9-10-16-18(13-14)27-21(26-16)11-4-3-5-12-21/h6-10,13H,3-5,11-12H2,1-2H3,(H,22,23)
InChIKeyGZXQEFBNTCTTCT-UHFFFAOYSA-N
XLogP4.39
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2,3-dimethoxyphenyl)-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylpropanamide
CID 24563112
2-ethoxy-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylbenzamide
CID 42280414
2-bromo-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylbenzamide
CID 24563091
N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2,3,4-trimethoxybenzamide
CID 26954091
2-iodo-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylbenzamide
CID 26757516
2-(2-methoxyethoxy)-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylpyridine-3-carboxamide
CID 55997077
5-methoxy-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-yl-2,3-dihydro-1,4-benzodioxine-7-carboxamide
CID 24647231
N-(2,3-dihydro-1H-inden-5-yl)-2,3-dimethoxybenzamide
CID 26198866
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylbenzamide
CID 35906655
3-methyl-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylbenzamide
CID 26173901
3-(dimethylsulfamoyl)-4-methoxy-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylbenzamide
CID 46664848
2,3-dimethoxy-N-(3-methoxyphenyl)benzamide
CID 912443

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethoxy-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylbenzamide?
The IUPAC name of 2,3-dimethoxy-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylbenzamide (CID 29293162) is 2,3-dimethoxy-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylbenzamide.
What is the SMILES notation for 2,3-dimethoxy-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylbenzamide?
The canonical SMILES for 2,3-dimethoxy-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylbenzamide is COc1cccc(C(=O)Nc2ccc3c(c2)OC2(CCCCC2)O3)c1OC.
What is the InChIKey of 2,3-dimethoxy-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylbenzamide?
The InChIKey is GZXQEFBNTCTTCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO5/c1-24-17-8-6-7-15(19(17)25-2)20(23)22-14-9-10-16-18(13-14)27-21(26-16)11-4-3-5-12-21/h6-10,13H,3-5,11-12H2,1-2H3,(H,22,23).
What are the key properties of 2,3-dimethoxy-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylbenzamide?
2,3-dimethoxy-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylbenzamide has a molecular weight of 369.42 g/mol, XLogP of 4.39, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethoxy-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylbenzamide is sourced from PubChem (CID 29293162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).