3-(2,3-dimethoxyphenyl)-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylpropanamide

C23H27NO5 — CID 24563112

IUPAC3-(2,3-dimethoxyphenyl)-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylpropanamide
SMILESCOc1cccc(CCC(=O)Nc2ccc3c(c2)OC2(CCCCC2)O3)c1OC
InChIInChI=1S/C23H27NO5/c1-26-19-8-6-7-16(22(19)27-2)9-12-21(25)24-17-10-11-18-20(15-17)29-23(28-18)13-4-3-5-14-23/h6-8,10-11,15H,3-5,9,12-14H2,1-2H3,(H,24,25)
InChIKeyIZJRYZVDOUESBA-UHFFFAOYSA-N
MW397.47 g/mol
LogP4.71
Rot. Bonds6

About 3-(2,3-dimethoxyphenyl)-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylpropanamide

3-(2,3-dimethoxyphenyl)-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylpropanamide (PubChem CID 24563112) has the molecular formula C23H27NO5 and a molecular weight of 397.47 g/mol. Its IUPAC name is 3-(2,3-dimethoxyphenyl)-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylpropanamide.

Molecular Properties

Compound Name3-(2,3-dimethoxyphenyl)-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylpropanamide
PubChem CID24563112
Molecular FormulaC23H27NO5
Molecular Weight397.47 g/mol
Exact Mass397.19
IUPAC Name3-(2,3-dimethoxyphenyl)-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylpropanamide
SMILESCOc1cccc(CCC(=O)Nc2ccc3c(c2)OC2(CCCCC2)O3)c1OC
InChIInChI=1S/C23H27NO5/c1-26-19-8-6-7-16(22(19)27-2)9-12-21(25)24-17-10-11-18-20(15-17)29-23(28-18)13-4-3-5-14-23/h6-8,10-11,15H,3-5,9,12-14H2,1-2H3,(H,24,25)
InChIKeyIZJRYZVDOUESBA-UHFFFAOYSA-N
XLogP4.71
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.47
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,3-dimethoxy-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylbenzamide
CID 29293162
3-(2,3-dimethoxyphenyl)-N-(3-fluoro-4-methylphenyl)propanamide
CID 9427530
2-(2-methoxy-4-methylphenoxy)-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylacetamide
CID 55453591
N-(3-chloro-4-fluorophenyl)-3-(2,3-dimethoxyphenyl)propanamide
CID 9404697
3-(2,3-dimethoxyphenyl)-N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]propanamide
CID 9020974
3-(2,3-dimethoxyphenyl)-N-(3-methylsulfonylphenyl)propanamide
CID 9072555
2-(methylamino)-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylacetamide
CID 120703453
2-ethoxy-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylacetamide
CID 78785716
2-(4-hydroxyphenyl)-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylacetamide
CID 78837912
2-(3-fluorophenyl)-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylacetamide
CID 42280231
[2-oxo-2-(spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylamino)ethyl] 2-(2,3-dimethylphenoxy)acetate
CID 7522603
[2-oxo-2-(spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylamino)ethyl] 3-phenylpropanoate
CID 7516902

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dimethoxyphenyl)-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylpropanamide?
The IUPAC name of 3-(2,3-dimethoxyphenyl)-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylpropanamide (CID 24563112) is 3-(2,3-dimethoxyphenyl)-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylpropanamide.
What is the SMILES notation for 3-(2,3-dimethoxyphenyl)-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylpropanamide?
The canonical SMILES for 3-(2,3-dimethoxyphenyl)-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylpropanamide is COc1cccc(CCC(=O)Nc2ccc3c(c2)OC2(CCCCC2)O3)c1OC.
What is the InChIKey of 3-(2,3-dimethoxyphenyl)-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylpropanamide?
The InChIKey is IZJRYZVDOUESBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27NO5/c1-26-19-8-6-7-16(22(19)27-2)9-12-21(25)24-17-10-11-18-20(15-17)29-23(28-18)13-4-3-5-14-23/h6-8,10-11,15H,3-5,9,12-14H2,1-2H3,(H,24,25).
What are the key properties of 3-(2,3-dimethoxyphenyl)-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylpropanamide?
3-(2,3-dimethoxyphenyl)-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylpropanamide has a molecular weight of 397.47 g/mol, XLogP of 4.71, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dimethoxyphenyl)-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylpropanamide is sourced from PubChem (CID 24563112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).