[2-(N-cyclohexylanilino)-2-oxoethyl] 2-(3-acetylphenoxy)acetate

C24H27NO5 — CID 7902946

IUPAC[2-(N-cyclohexylanilino)-2-oxoethyl] 2-(3-acetylphenoxy)acetate
SMILESCC(=O)c1cccc(OCC(=O)OCC(=O)N(c2ccccc2)C2CCCCC2)c1
InChIInChI=1S/C24H27NO5/c1-18(26)19-9-8-14-22(15-19)29-17-24(28)30-16-23(27)25(20-10-4-2-5-11-20)21-12-6-3-7-13-21/h2,4-5,8-11,14-15,21H,3,6-7,12-13,16-17H2,1H3
InChIKeyMZYRGFMQTDLGFO-UHFFFAOYSA-N
MW409.48 g/mol
LogP4.18
Rot. Bonds8

About [2-(N-cyclohexylanilino)-2-oxoethyl] 2-(3-acetylphenoxy)acetate

[2-(N-cyclohexylanilino)-2-oxoethyl] 2-(3-acetylphenoxy)acetate (PubChem CID 7902946) has the molecular formula C24H27NO5 and a molecular weight of 409.48 g/mol. Its IUPAC name is [2-(N-cyclohexylanilino)-2-oxoethyl] 2-(3-acetylphenoxy)acetate.

Molecular Properties

Compound Name[2-(N-cyclohexylanilino)-2-oxoethyl] 2-(3-acetylphenoxy)acetate
PubChem CID7902946
Molecular FormulaC24H27NO5
Molecular Weight409.48 g/mol
Exact Mass409.19
IUPAC Name[2-(N-cyclohexylanilino)-2-oxoethyl] 2-(3-acetylphenoxy)acetate
SMILESCC(=O)c1cccc(OCC(=O)OCC(=O)N(c2ccccc2)C2CCCCC2)c1
InChIInChI=1S/C24H27NO5/c1-18(26)19-9-8-14-22(15-19)29-17-24(28)30-16-23(27)25(20-10-4-2-5-11-20)21-12-6-3-7-13-21/h2,4-5,8-11,14-15,21H,3,6-7,12-13,16-17H2,1H3
InChIKeyMZYRGFMQTDLGFO-UHFFFAOYSA-N
XLogP4.18
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.48
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-benzoylphenoxy)-N-cyclohexyl-N-phenylacetamide
CID 7717735
2-(3-acetylphenoxy)-1-cyclohexylethanone
CID 115582273
2-(3-acetylphenoxy)-N-cyclohexylacetamide
CID 2708999
N-cyclohexyl-2-[2-[2-(N-cyclohexylanilino)-2-oxoethoxy]phenoxy]-N-phenylacetamide
CID 102017753
2-phenylethyl 2-(3-acetylphenoxy)acetate
CID 82311984
[2-(N-cyclohexylanilino)-2-oxoethyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate
CID 7901935
[2-(N-cyclohexylanilino)-2-oxoethyl] 3,4-dichlorobenzoate
CID 7873389
[2-(N-cyclohexylanilino)-2-oxoethyl] 2-(1-adamantyl)acetate
CID 7695229
[(2S)-1-(cycloheptylamino)-1-oxopropan-2-yl] 2-(3-acetylphenoxy)acetate
CID 8735606
[2-(N-cyclohexylanilino)-2-oxoethyl] (1R,5S)-9-oxobicyclo[3.3.1]nonane-3-carboxylate
CID 7187028
[2-(benzhydrylamino)-2-oxoethyl] 2-(3-acetylphenoxy)acetate
CID 8007912
[2-(N-cyclohexylanilino)-2-oxoethyl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate
CID 8813987

Frequently Asked Questions

What is the IUPAC name of [2-(N-cyclohexylanilino)-2-oxoethyl] 2-(3-acetylphenoxy)acetate?
The IUPAC name of [2-(N-cyclohexylanilino)-2-oxoethyl] 2-(3-acetylphenoxy)acetate (CID 7902946) is [2-(N-cyclohexylanilino)-2-oxoethyl] 2-(3-acetylphenoxy)acetate.
What is the SMILES notation for [2-(N-cyclohexylanilino)-2-oxoethyl] 2-(3-acetylphenoxy)acetate?
The canonical SMILES for [2-(N-cyclohexylanilino)-2-oxoethyl] 2-(3-acetylphenoxy)acetate is CC(=O)c1cccc(OCC(=O)OCC(=O)N(c2ccccc2)C2CCCCC2)c1.
What is the InChIKey of [2-(N-cyclohexylanilino)-2-oxoethyl] 2-(3-acetylphenoxy)acetate?
The InChIKey is MZYRGFMQTDLGFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27NO5/c1-18(26)19-9-8-14-22(15-19)29-17-24(28)30-16-23(27)25(20-10-4-2-5-11-20)21-12-6-3-7-13-21/h2,4-5,8-11,14-15,21H,3,6-7,12-13,16-17H2,1H3.
What are the key properties of [2-(N-cyclohexylanilino)-2-oxoethyl] 2-(3-acetylphenoxy)acetate?
[2-(N-cyclohexylanilino)-2-oxoethyl] 2-(3-acetylphenoxy)acetate has a molecular weight of 409.48 g/mol, XLogP of 4.18, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(N-cyclohexylanilino)-2-oxoethyl] 2-(3-acetylphenoxy)acetate is sourced from PubChem (CID 7902946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).