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

C22H22N2O4 — CID 46597519

IUPAC2-(2-cyanophenoxy)-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylpropanamide
SMILESCC(Oc1ccccc1C#N)C(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2
InChIInChI=1S/C22H22N2O4/c1-15(26-18-8-4-3-7-16(18)14-23)21(25)24-17-9-10-19-20(13-17)28-22(27-19)11-5-2-6-12-22/h3-4,7-10,13,15H,2,5-6,11-12H2,1H3,(H,24,25)
InChIKeyYIQRPVPPKSNFDN-UHFFFAOYSA-N
MW378.43 g/mol
LogP4.40
Rot. Bonds4

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

2-(2-cyanophenoxy)-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylpropanamide (PubChem CID 46597519) has the molecular formula C22H22N2O4 and a molecular weight of 378.43 g/mol. Its IUPAC name is 2-(2-cyanophenoxy)-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylpropanamide.

Molecular Properties

Compound Name2-(2-cyanophenoxy)-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylpropanamide
PubChem CID46597519
Molecular FormulaC22H22N2O4
Molecular Weight378.43 g/mol
Exact Mass378.16
IUPAC Name2-(2-cyanophenoxy)-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylpropanamide
SMILESCC(Oc1ccccc1C#N)C(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2
InChIInChI=1S/C22H22N2O4/c1-15(26-18-8-4-3-7-16(18)14-23)21(25)24-17-9-10-19-20(13-17)28-22(27-19)11-5-2-6-12-22/h3-4,7-10,13,15H,2,5-6,11-12H2,1H3,(H,24,25)
InChIKeyYIQRPVPPKSNFDN-UHFFFAOYSA-N
XLogP4.40
TPSA80.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-methylphenoxy)-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylpropanamide
CID 112764855
(2R)-2-(2-cyanophenoxy)-N-(4-methylphenyl)propanamide
CID 2565309
2-(2-cyanophenoxy)-N-[4-(dimethylsulfamoyl)phenyl]propanamide
CID 55597385
2-chloro-2-fluoro-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylacetamide
CID 166428021
N-[4-[2-(2-cyanophenoxy)propanoylamino]phenyl]furan-2-carboxamide
CID 55598715
N-[1-oxo-1-(spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylamino)propan-2-yl]furan-3-carboxamide
CID 55831241
N-(1,3-benzodioxol-5-yl)-2-(spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylamino)propanamide
CID 55598967
ethyl 3-[2-(2-cyanophenoxy)propanoylamino]benzoate
CID 46596294
[(2S)-1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl] 2-(2-cyanophenoxy)acetate
CID 9275422
(2R)-2-(2-cyanophenoxy)-N-(1H-pyrazol-4-yl)propanamide
CID 93045041
3-[4-[2-(2-cyanophenoxy)propanoylamino]phenyl]-2-methylpropanoic acid
CID 120540584
N-[4-[2-(2-cyanophenoxy)propanoylamino]-2-hydroxyphenyl]butanamide
CID 71213819

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyanophenoxy)-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylpropanamide?
The IUPAC name of 2-(2-cyanophenoxy)-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylpropanamide (CID 46597519) is 2-(2-cyanophenoxy)-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylpropanamide.
What is the SMILES notation for 2-(2-cyanophenoxy)-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylpropanamide?
The canonical SMILES for 2-(2-cyanophenoxy)-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylpropanamide is CC(Oc1ccccc1C#N)C(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2.
What is the InChIKey of 2-(2-cyanophenoxy)-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylpropanamide?
The InChIKey is YIQRPVPPKSNFDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O4/c1-15(26-18-8-4-3-7-16(18)14-23)21(25)24-17-9-10-19-20(13-17)28-22(27-19)11-5-2-6-12-22/h3-4,7-10,13,15H,2,5-6,11-12H2,1H3,(H,24,25).
What are the key properties of 2-(2-cyanophenoxy)-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylpropanamide?
2-(2-cyanophenoxy)-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylpropanamide has a molecular weight of 378.43 g/mol, XLogP of 4.40, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyanophenoxy)-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylpropanamide is sourced from PubChem (CID 46597519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).