cyclohexyl 2-(4-aminophenyl)butanoate

C16H23NO2 — CID 21294112

IUPACcyclohexyl 2-(4-aminophenyl)butanoate
SMILESCCC(C(=O)OC1CCCCC1)c1ccc(N)cc1
InChIInChI=1S/C16H23NO2/c1-2-15(12-8-10-13(17)11-9-12)16(18)19-14-6-4-3-5-7-14/h8-11,14-15H,2-7,17H2,1H3
InChIKeyUENNHSQQACCRDQ-UHFFFAOYSA-N
MW261.37 g/mol
LogP3.64
Rot. Bonds4

About cyclohexyl 2-(4-aminophenyl)butanoate

cyclohexyl 2-(4-aminophenyl)butanoate (PubChem CID 21294112) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is cyclohexyl 2-(4-aminophenyl)butanoate.

Molecular Properties

Compound Namecyclohexyl 2-(4-aminophenyl)butanoate
PubChem CID21294112
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Namecyclohexyl 2-(4-aminophenyl)butanoate
SMILESCCC(C(=O)OC1CCCCC1)c1ccc(N)cc1
InChIInChI=1S/C16H23NO2/c1-2-15(12-8-10-13(17)11-9-12)16(18)19-14-6-4-3-5-7-14/h8-11,14-15H,2-7,17H2,1H3
InChIKeyUENNHSQQACCRDQ-UHFFFAOYSA-N
XLogP3.64
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of cyclohexyl 2-(4-aminophenyl)butanoate?
The IUPAC name of cyclohexyl 2-(4-aminophenyl)butanoate (CID 21294112) is cyclohexyl 2-(4-aminophenyl)butanoate.
What is the SMILES notation for cyclohexyl 2-(4-aminophenyl)butanoate?
The canonical SMILES for cyclohexyl 2-(4-aminophenyl)butanoate is CCC(C(=O)OC1CCCCC1)c1ccc(N)cc1.
What is the InChIKey of cyclohexyl 2-(4-aminophenyl)butanoate?
The InChIKey is UENNHSQQACCRDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-2-15(12-8-10-13(17)11-9-12)16(18)19-14-6-4-3-5-7-14/h8-11,14-15H,2-7,17H2,1H3.
What are the key properties of cyclohexyl 2-(4-aminophenyl)butanoate?
cyclohexyl 2-(4-aminophenyl)butanoate has a molecular weight of 261.37 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl 2-(4-aminophenyl)butanoate is sourced from PubChem (CID 21294112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).