ethyl 2-anilinohexanoate

C14H21NO2 — CID 22099382

IUPACethyl 2-anilinohexanoate
SMILESCCCCC(Nc1ccccc1)C(=O)OCC
InChIInChI=1S/C14H21NO2/c1-3-5-11-13(14(16)17-4-2)15-12-9-7-6-8-10-12/h6-10,13,15H,3-5,11H2,1-2H3
InChIKeyGXYWHKAXIDTAFU-UHFFFAOYSA-N
MW235.33 g/mol
LogP3.22
Rot. Bonds7

About ethyl 2-anilinohexanoate

ethyl 2-anilinohexanoate (PubChem CID 22099382) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is ethyl 2-anilinohexanoate.

Molecular Properties

Compound Nameethyl 2-anilinohexanoate
PubChem CID22099382
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Nameethyl 2-anilinohexanoate
SMILESCCCCC(Nc1ccccc1)C(=O)OCC
InChIInChI=1S/C14H21NO2/c1-3-5-11-13(14(16)17-4-2)15-12-9-7-6-8-10-12/h6-10,13,15H,3-5,11H2,1-2H3
InChIKeyGXYWHKAXIDTAFU-UHFFFAOYSA-N
XLogP3.22
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-anilinohexanoate?
The IUPAC name of ethyl 2-anilinohexanoate (CID 22099382) is ethyl 2-anilinohexanoate.
What is the SMILES notation for ethyl 2-anilinohexanoate?
The canonical SMILES for ethyl 2-anilinohexanoate is CCCCC(Nc1ccccc1)C(=O)OCC.
What is the InChIKey of ethyl 2-anilinohexanoate?
The InChIKey is GXYWHKAXIDTAFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-3-5-11-13(14(16)17-4-2)15-12-9-7-6-8-10-12/h6-10,13,15H,3-5,11H2,1-2H3.
What are the key properties of ethyl 2-anilinohexanoate?
ethyl 2-anilinohexanoate has a molecular weight of 235.33 g/mol, XLogP of 3.22, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-anilinohexanoate is sourced from PubChem (CID 22099382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).