cyclohexyl 2-(2-aminophenoxy)butanoate

C16H23NO3 — CID 82027657

IUPACcyclohexyl 2-(2-aminophenoxy)butanoate
SMILESCCC(Oc1ccccc1N)C(=O)OC1CCCCC1
InChIInChI=1S/C16H23NO3/c1-2-14(20-15-11-7-6-10-13(15)17)16(18)19-12-8-4-3-5-9-12/h6-7,10-12,14H,2-5,8-9,17H2,1H3
InChIKeyRLEILBAAHYNGEL-UHFFFAOYSA-N
MW277.36 g/mol
LogP3.30
Rot. Bonds5

About cyclohexyl 2-(2-aminophenoxy)butanoate

cyclohexyl 2-(2-aminophenoxy)butanoate (PubChem CID 82027657) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is cyclohexyl 2-(2-aminophenoxy)butanoate.

Molecular Properties

Compound Namecyclohexyl 2-(2-aminophenoxy)butanoate
PubChem CID82027657
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Namecyclohexyl 2-(2-aminophenoxy)butanoate
SMILESCCC(Oc1ccccc1N)C(=O)OC1CCCCC1
InChIInChI=1S/C16H23NO3/c1-2-14(20-15-11-7-6-10-13(15)17)16(18)19-12-8-4-3-5-9-12/h6-7,10-12,14H,2-5,8-9,17H2,1H3
InChIKeyRLEILBAAHYNGEL-UHFFFAOYSA-N
XLogP3.30
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(2-aminophenoxy)butanoate?
The IUPAC name of cyclohexyl 2-(2-aminophenoxy)butanoate (CID 82027657) is cyclohexyl 2-(2-aminophenoxy)butanoate.
What is the SMILES notation for cyclohexyl 2-(2-aminophenoxy)butanoate?
The canonical SMILES for cyclohexyl 2-(2-aminophenoxy)butanoate is CCC(Oc1ccccc1N)C(=O)OC1CCCCC1.
What is the InChIKey of cyclohexyl 2-(2-aminophenoxy)butanoate?
The InChIKey is RLEILBAAHYNGEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-2-14(20-15-11-7-6-10-13(15)17)16(18)19-12-8-4-3-5-9-12/h6-7,10-12,14H,2-5,8-9,17H2,1H3.
What are the key properties of cyclohexyl 2-(2-aminophenoxy)butanoate?
cyclohexyl 2-(2-aminophenoxy)butanoate has a molecular weight of 277.36 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl 2-(2-aminophenoxy)butanoate is sourced from PubChem (CID 82027657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).