ethyl 4-[2-(4-cyanophenoxy)ethylamino]butanoate

C15H20N2O3 — CID 60687882

IUPACethyl 4-[2-(4-cyanophenoxy)ethylamino]butanoate
SMILESCCOC(=O)CCCNCCOc1ccc(C#N)cc1
InChIInChI=1S/C15H20N2O3/c1-2-19-15(18)4-3-9-17-10-11-20-14-7-5-13(12-16)6-8-14/h5-8,17H,2-4,9-11H2,1H3
InChIKeyFZCYKOVNBNFKGE-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.87
Rot. Bonds9

About ethyl 4-[2-(4-cyanophenoxy)ethylamino]butanoate

ethyl 4-[2-(4-cyanophenoxy)ethylamino]butanoate (PubChem CID 60687882) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is ethyl 4-[2-(4-cyanophenoxy)ethylamino]butanoate.

Molecular Properties

Compound Nameethyl 4-[2-(4-cyanophenoxy)ethylamino]butanoate
PubChem CID60687882
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Nameethyl 4-[2-(4-cyanophenoxy)ethylamino]butanoate
SMILESCCOC(=O)CCCNCCOc1ccc(C#N)cc1
InChIInChI=1S/C15H20N2O3/c1-2-19-15(18)4-3-9-17-10-11-20-14-7-5-13(12-16)6-8-14/h5-8,17H,2-4,9-11H2,1H3
InChIKeyFZCYKOVNBNFKGE-UHFFFAOYSA-N
XLogP1.87
TPSA71.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethyl 3-[2-(4-cyanophenoxy)ethyl-methylamino]propanoate
CID 62012609
4-[2-(2-aminoethylamino)ethoxy]benzonitrile
CID 69276381
ethyl 3-(2-phenoxyethylamino)propanoate
CID 60647928
4-[2-[(3-ethoxy-3-oxopropyl)amino]ethoxy]benzoic acid
CID 103245358
ethyl 4-[(2-chloro-4-cyanophenyl)methylamino]butanoate
CID 102664608
ethyl 4-[4-(2-phenylethynyl)phenoxy]butanoate
CID 154694040
ethyl 4-(2-amino-4-cyanoanilino)butanoate
CID 64577491
ethyl 5-(4-formylphenoxy)pentanoate
CID 91655164
6-O-(4-cyanophenyl) 1-O-heptyl hexanedioate
CID 91713589
ethyl 4-[[2-(3-cyanoanilino)-2-oxoethyl]amino]butanoate
CID 60648303
ethyl 6-[4-(propylaminomethyl)phenoxy]hexanoate
CID 70696698
ethyl 4-[(4-butoxyphenyl)sulfonylamino]butanoate
CID 3867578

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[2-(4-cyanophenoxy)ethylamino]butanoate?
The IUPAC name of ethyl 4-[2-(4-cyanophenoxy)ethylamino]butanoate (CID 60687882) is ethyl 4-[2-(4-cyanophenoxy)ethylamino]butanoate.
What is the SMILES notation for ethyl 4-[2-(4-cyanophenoxy)ethylamino]butanoate?
The canonical SMILES for ethyl 4-[2-(4-cyanophenoxy)ethylamino]butanoate is CCOC(=O)CCCNCCOc1ccc(C#N)cc1.
What is the InChIKey of ethyl 4-[2-(4-cyanophenoxy)ethylamino]butanoate?
The InChIKey is FZCYKOVNBNFKGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-2-19-15(18)4-3-9-17-10-11-20-14-7-5-13(12-16)6-8-14/h5-8,17H,2-4,9-11H2,1H3.
What are the key properties of ethyl 4-[2-(4-cyanophenoxy)ethylamino]butanoate?
ethyl 4-[2-(4-cyanophenoxy)ethylamino]butanoate has a molecular weight of 276.34 g/mol, XLogP of 1.87, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[2-(4-cyanophenoxy)ethylamino]butanoate is sourced from PubChem (CID 60687882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).