2-[N-(2-acetyloxyethyl)anilino]ethyl acetate

C14H19NO4 — CID 29521

IUPAC2-[N-(2-acetyloxyethyl)anilino]ethyl acetate
SMILESCC(=O)OCCN(CCOC(C)=O)c1ccccc1
InChIInChI=1S/C14H19NO4/c1-12(16)18-10-8-15(9-11-19-13(2)17)14-6-4-3-5-7-14/h3-7H,8-11H2,1-2H3
InChIKeyXQGHEXBVXWBMGC-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.62
Rot. Bonds7

About 2-[N-(2-acetyloxyethyl)anilino]ethyl acetate

2-[N-(2-acetyloxyethyl)anilino]ethyl acetate (PubChem CID 29521) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is 2-[N-(2-acetyloxyethyl)anilino]ethyl acetate.

Molecular Properties

Compound Name2-[N-(2-acetyloxyethyl)anilino]ethyl acetate
PubChem CID29521
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Name2-[N-(2-acetyloxyethyl)anilino]ethyl acetate
SMILESCC(=O)OCCN(CCOC(C)=O)c1ccccc1
InChIInChI=1S/C14H19NO4/c1-12(16)18-10-8-15(9-11-19-13(2)17)14-6-4-3-5-7-14/h3-7H,8-11H2,1-2H3
InChIKeyXQGHEXBVXWBMGC-UHFFFAOYSA-N
XLogP1.62
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[N-(2-acetyloxyethyl)anilino]ethyl acetate?
The IUPAC name of 2-[N-(2-acetyloxyethyl)anilino]ethyl acetate (CID 29521) is 2-[N-(2-acetyloxyethyl)anilino]ethyl acetate.
What is the SMILES notation for 2-[N-(2-acetyloxyethyl)anilino]ethyl acetate?
The canonical SMILES for 2-[N-(2-acetyloxyethyl)anilino]ethyl acetate is CC(=O)OCCN(CCOC(C)=O)c1ccccc1.
What is the InChIKey of 2-[N-(2-acetyloxyethyl)anilino]ethyl acetate?
The InChIKey is XQGHEXBVXWBMGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-12(16)18-10-8-15(9-11-19-13(2)17)14-6-4-3-5-7-14/h3-7H,8-11H2,1-2H3.
What are the key properties of 2-[N-(2-acetyloxyethyl)anilino]ethyl acetate?
2-[N-(2-acetyloxyethyl)anilino]ethyl acetate has a molecular weight of 265.31 g/mol, XLogP of 1.62, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(2-acetyloxyethyl)anilino]ethyl acetate is sourced from PubChem (CID 29521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).