2-(2-methoxy-4-methylphenoxy)-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylacetamide

C22H25NO5 — CID 55453591

IUPAC2-(2-methoxy-4-methylphenoxy)-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylacetamide
SMILESCOc1cc(C)ccc1OCC(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2
InChIInChI=1S/C22H25NO5/c1-15-6-8-17(19(12-15)25-2)26-14-21(24)23-16-7-9-18-20(13-16)28-22(27-18)10-4-3-5-11-22/h6-9,12-13H,3-5,10-11,14H2,1-2H3,(H,23,24)
InChIKeyXMGZVWVTYZYYMY-UHFFFAOYSA-N
MW383.44 g/mol
LogP4.45
Rot. Bonds5

About 2-(2-methoxy-4-methylphenoxy)-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylacetamide

2-(2-methoxy-4-methylphenoxy)-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylacetamide (PubChem CID 55453591) has the molecular formula C22H25NO5 and a molecular weight of 383.44 g/mol. Its IUPAC name is 2-(2-methoxy-4-methylphenoxy)-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylacetamide.

Molecular Properties

Compound Name2-(2-methoxy-4-methylphenoxy)-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylacetamide
PubChem CID55453591
Molecular FormulaC22H25NO5
Molecular Weight383.44 g/mol
Exact Mass383.17
IUPAC Name2-(2-methoxy-4-methylphenoxy)-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylacetamide
SMILESCOc1cc(C)ccc1OCC(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2
InChIInChI=1S/C22H25NO5/c1-15-6-8-17(19(12-15)25-2)26-14-21(24)23-16-7-9-18-20(13-16)28-22(27-18)10-4-3-5-11-22/h6-9,12-13H,3-5,10-11,14H2,1-2H3,(H,23,24)
InChIKeyXMGZVWVTYZYYMY-UHFFFAOYSA-N
XLogP4.45
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.44
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2,4-dichlorophenoxy)-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylacetamide
CID 7516874
2-(3-methylphenoxy)-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylacetamide
CID 26757566
2-(3,4-dimethylphenoxy)-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylacetamide
CID 26173911
2-(2-chloro-4-cyanophenoxy)-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylacetamide
CID 8977367
2-[(4-ethoxy-3-methoxyphenyl)methyl-ethylamino]-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylacetamide
CID 16608752
2-ethoxy-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylacetamide
CID 78785716
[2-oxo-2-(spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylamino)ethyl] 2-(2,3-dimethylphenoxy)acetate
CID 7522603
2-(methylamino)-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylacetamide
CID 120703453
3-(2,3-dimethoxyphenyl)-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylpropanamide
CID 24563112
3,5-dimethyl-N-[2-oxo-2-(spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylamino)ethyl]benzamide
CID 24646089
N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-(2-methoxy-4-methylphenoxy)acetamide
CID 18166231
2,3-dimethoxy-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylbenzamide
CID 29293162

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxy-4-methylphenoxy)-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylacetamide?
The IUPAC name of 2-(2-methoxy-4-methylphenoxy)-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylacetamide (CID 55453591) is 2-(2-methoxy-4-methylphenoxy)-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylacetamide.
What is the SMILES notation for 2-(2-methoxy-4-methylphenoxy)-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylacetamide?
The canonical SMILES for 2-(2-methoxy-4-methylphenoxy)-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylacetamide is COc1cc(C)ccc1OCC(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2.
What is the InChIKey of 2-(2-methoxy-4-methylphenoxy)-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylacetamide?
The InChIKey is XMGZVWVTYZYYMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NO5/c1-15-6-8-17(19(12-15)25-2)26-14-21(24)23-16-7-9-18-20(13-16)28-22(27-18)10-4-3-5-11-22/h6-9,12-13H,3-5,10-11,14H2,1-2H3,(H,23,24).
What are the key properties of 2-(2-methoxy-4-methylphenoxy)-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylacetamide?
2-(2-methoxy-4-methylphenoxy)-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylacetamide has a molecular weight of 383.44 g/mol, XLogP of 4.45, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxy-4-methylphenoxy)-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylacetamide is sourced from PubChem (CID 55453591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).