cyclohexyl 2-[4-(benzylcarbamoyl)phenoxy]acetate

C22H25NO4 — CID 1192156

IUPACcyclohexyl 2-[4-(benzylcarbamoyl)phenoxy]acetate
SMILESO=C(COc1ccc(C(=O)NCc2ccccc2)cc1)OC1CCCCC1
InChIInChI=1S/C22H25NO4/c24-21(27-20-9-5-2-6-10-20)16-26-19-13-11-18(12-14-19)22(25)23-15-17-7-3-1-4-8-17/h1,3-4,7-8,11-14,20H,2,5-6,9-10,15-16H2,(H,23,25)
InChIKeyGUJJPBSIXLBEQW-UHFFFAOYSA-N
MW367.44 g/mol
LogP3.87
Rot. Bonds7

About cyclohexyl 2-[4-(benzylcarbamoyl)phenoxy]acetate

cyclohexyl 2-[4-(benzylcarbamoyl)phenoxy]acetate (PubChem CID 1192156) has the molecular formula C22H25NO4 and a molecular weight of 367.44 g/mol. Its IUPAC name is cyclohexyl 2-[4-(benzylcarbamoyl)phenoxy]acetate.

Molecular Properties

Compound Namecyclohexyl 2-[4-(benzylcarbamoyl)phenoxy]acetate
PubChem CID1192156
Molecular FormulaC22H25NO4
Molecular Weight367.44 g/mol
Exact Mass367.18
IUPAC Namecyclohexyl 2-[4-(benzylcarbamoyl)phenoxy]acetate
SMILESO=C(COc1ccc(C(=O)NCc2ccccc2)cc1)OC1CCCCC1
InChIInChI=1S/C22H25NO4/c24-21(27-20-9-5-2-6-10-20)16-26-19-13-11-18(12-14-19)22(25)23-15-17-7-3-1-4-8-17/h1,3-4,7-8,11-14,20H,2,5-6,9-10,15-16H2,(H,23,25)
InChIKeyGUJJPBSIXLBEQW-UHFFFAOYSA-N
XLogP3.87
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.44
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-4-[4-(benzylcarbamoyl)phenoxy]benzamide
CID 2223099
cyclohexyl 2-phenylacetate;methyl 2-phenylacetate
CID 5314269
N-benzyl-4-[[2-(4-phenylphenoxy)acetyl]amino]benzamide
CID 28639925
N-benzyl-4-[2-(2-fluoroanilino)-2-oxoethoxy]benzamide
CID 1182077
N-benzyl-4-[[2-(4-methylphenoxy)acetyl]amino]benzamide
CID 28639871
[4-[[4-(cyclohexylmethoxy)phenyl]methylcarbamoyl]phenyl] dihydrogen phosphate
CID 10812007
N-[2-(benzylsulfamoyl)ethyl]-4-cyclopentyloxybenzamide
CID 55795806
N-benzyl-4-[4-(benzylcarbamoyl)benzoyl]benzamide
CID 20598592
1-N-benzyl-4-N-(4-ethoxyphenyl)benzene-1,4-dicarboxamide
CID 109046738
cyclohexyl 2-[5-fluoro-2-[(3-nitrophenyl)methylcarbamoyl]phenoxy]acetate
CID 22093477
4-[(3aS,7aR)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-benzylbenzamide
CID 2180377
4-[(3aR,7aR)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-benzylbenzamide
CID 2180379

Frequently Asked Questions

What is the IUPAC name of cyclohexyl 2-[4-(benzylcarbamoyl)phenoxy]acetate?
The IUPAC name of cyclohexyl 2-[4-(benzylcarbamoyl)phenoxy]acetate (CID 1192156) is cyclohexyl 2-[4-(benzylcarbamoyl)phenoxy]acetate.
What is the SMILES notation for cyclohexyl 2-[4-(benzylcarbamoyl)phenoxy]acetate?
The canonical SMILES for cyclohexyl 2-[4-(benzylcarbamoyl)phenoxy]acetate is O=C(COc1ccc(C(=O)NCc2ccccc2)cc1)OC1CCCCC1.
What is the InChIKey of cyclohexyl 2-[4-(benzylcarbamoyl)phenoxy]acetate?
The InChIKey is GUJJPBSIXLBEQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NO4/c24-21(27-20-9-5-2-6-10-20)16-26-19-13-11-18(12-14-19)22(25)23-15-17-7-3-1-4-8-17/h1,3-4,7-8,11-14,20H,2,5-6,9-10,15-16H2,(H,23,25).
What are the key properties of cyclohexyl 2-[4-(benzylcarbamoyl)phenoxy]acetate?
cyclohexyl 2-[4-(benzylcarbamoyl)phenoxy]acetate has a molecular weight of 367.44 g/mol, XLogP of 3.87, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl 2-[4-(benzylcarbamoyl)phenoxy]acetate is sourced from PubChem (CID 1192156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).