ethyl 2-anilino-2-cyclohexylacetate

C16H23NO2 — CID 54889636

IUPACethyl 2-anilino-2-cyclohexylacetate
SMILESCCOC(=O)C(Nc1ccccc1)C1CCCCC1
InChIInChI=1S/C16H23NO2/c1-2-19-16(18)15(13-9-5-3-6-10-13)17-14-11-7-4-8-12-14/h4,7-8,11-13,15,17H,2-3,5-6,9-10H2,1H3
InChIKeyXGPCWEUYIODONI-UHFFFAOYSA-N
MW261.37 g/mol
LogP3.61
Rot. Bonds5

About ethyl 2-anilino-2-cyclohexylacetate

ethyl 2-anilino-2-cyclohexylacetate (PubChem CID 54889636) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is ethyl 2-anilino-2-cyclohexylacetate.

Molecular Properties

Compound Nameethyl 2-anilino-2-cyclohexylacetate
PubChem CID54889636
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Nameethyl 2-anilino-2-cyclohexylacetate
SMILESCCOC(=O)C(Nc1ccccc1)C1CCCCC1
InChIInChI=1S/C16H23NO2/c1-2-19-16(18)15(13-9-5-3-6-10-13)17-14-11-7-4-8-12-14/h4,7-8,11-13,15,17H,2-3,5-6,9-10H2,1H3
InChIKeyXGPCWEUYIODONI-UHFFFAOYSA-N
XLogP3.61
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-anilino-2-cyclohexylacetate?
The IUPAC name of ethyl 2-anilino-2-cyclohexylacetate (CID 54889636) is ethyl 2-anilino-2-cyclohexylacetate.
What is the SMILES notation for ethyl 2-anilino-2-cyclohexylacetate?
The canonical SMILES for ethyl 2-anilino-2-cyclohexylacetate is CCOC(=O)C(Nc1ccccc1)C1CCCCC1.
What is the InChIKey of ethyl 2-anilino-2-cyclohexylacetate?
The InChIKey is XGPCWEUYIODONI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-2-19-16(18)15(13-9-5-3-6-10-13)17-14-11-7-4-8-12-14/h4,7-8,11-13,15,17H,2-3,5-6,9-10H2,1H3.
What are the key properties of ethyl 2-anilino-2-cyclohexylacetate?
ethyl 2-anilino-2-cyclohexylacetate has a molecular weight of 261.37 g/mol, XLogP of 3.61, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-anilino-2-cyclohexylacetate is sourced from PubChem (CID 54889636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).