cyclohexyl 2-(2-ethylanilino)propanoate

C17H25NO2 — CID 70524306

IUPACcyclohexyl 2-(2-ethylanilino)propanoate
SMILESCCc1ccccc1NC(C)C(=O)OC1CCCCC1
InChIInChI=1S/C17H25NO2/c1-3-14-9-7-8-12-16(14)18-13(2)17(19)20-15-10-5-4-6-11-15/h7-9,12-13,15,18H,3-6,10-11H2,1-2H3
InChIKeyGTAPBUUSHSUGOA-UHFFFAOYSA-N
MW275.39 g/mol
LogP3.93
Rot. Bonds5

About cyclohexyl 2-(2-ethylanilino)propanoate

cyclohexyl 2-(2-ethylanilino)propanoate (PubChem CID 70524306) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is cyclohexyl 2-(2-ethylanilino)propanoate.

Molecular Properties

Compound Namecyclohexyl 2-(2-ethylanilino)propanoate
PubChem CID70524306
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Namecyclohexyl 2-(2-ethylanilino)propanoate
SMILESCCc1ccccc1NC(C)C(=O)OC1CCCCC1
InChIInChI=1S/C17H25NO2/c1-3-14-9-7-8-12-16(14)18-13(2)17(19)20-15-10-5-4-6-11-15/h7-9,12-13,15,18H,3-6,10-11H2,1-2H3
InChIKeyGTAPBUUSHSUGOA-UHFFFAOYSA-N
XLogP3.93
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cyclohexyl 2-(2-ethylanilino)propanoate?
The IUPAC name of cyclohexyl 2-(2-ethylanilino)propanoate (CID 70524306) is cyclohexyl 2-(2-ethylanilino)propanoate.
What is the SMILES notation for cyclohexyl 2-(2-ethylanilino)propanoate?
The canonical SMILES for cyclohexyl 2-(2-ethylanilino)propanoate is CCc1ccccc1NC(C)C(=O)OC1CCCCC1.
What is the InChIKey of cyclohexyl 2-(2-ethylanilino)propanoate?
The InChIKey is GTAPBUUSHSUGOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-3-14-9-7-8-12-16(14)18-13(2)17(19)20-15-10-5-4-6-11-15/h7-9,12-13,15,18H,3-6,10-11H2,1-2H3.
What are the key properties of cyclohexyl 2-(2-ethylanilino)propanoate?
cyclohexyl 2-(2-ethylanilino)propanoate has a molecular weight of 275.39 g/mol, XLogP of 3.93, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl 2-(2-ethylanilino)propanoate is sourced from PubChem (CID 70524306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).