[2-oxo-2-(2,3,6-trimethyl-N-(2-oxooxolan-3-yl)anilino)ethyl] acetate

C17H21NO5 — CID 13118641

IUPAC[2-oxo-2-(2,3,6-trimethyl-N-(2-oxooxolan-3-yl)anilino)ethyl] acetate
SMILESCC(=O)OCC(=O)N(c1c(C)ccc(C)c1C)C1CCOC1=O
InChIInChI=1S/C17H21NO5/c1-10-5-6-11(2)16(12(10)3)18(14-7-8-22-17(14)21)15(20)9-23-13(4)19/h5-6,14H,7-9H2,1-4H3
InChIKeyDNBYUQDDOQLZSX-UHFFFAOYSA-N
MW319.36 g/mol
LogP1.82
Rot. Bonds4

About [2-oxo-2-(2,3,6-trimethyl-N-(2-oxooxolan-3-yl)anilino)ethyl] acetate

[2-oxo-2-(2,3,6-trimethyl-N-(2-oxooxolan-3-yl)anilino)ethyl] acetate (PubChem CID 13118641) has the molecular formula C17H21NO5 and a molecular weight of 319.36 g/mol. Its IUPAC name is [2-oxo-2-(2,3,6-trimethyl-N-(2-oxooxolan-3-yl)anilino)ethyl] acetate.

Molecular Properties

Compound Name[2-oxo-2-(2,3,6-trimethyl-N-(2-oxooxolan-3-yl)anilino)ethyl] acetate
PubChem CID13118641
Molecular FormulaC17H21NO5
Molecular Weight319.36 g/mol
Exact Mass319.14
IUPAC Name[2-oxo-2-(2,3,6-trimethyl-N-(2-oxooxolan-3-yl)anilino)ethyl] acetate
SMILESCC(=O)OCC(=O)N(c1c(C)ccc(C)c1C)C1CCOC1=O
InChIInChI=1S/C17H21NO5/c1-10-5-6-11(2)16(12(10)3)18(14-7-8-22-17(14)21)15(20)9-23-13(4)19/h5-6,14H,7-9H2,1-4H3
InChIKeyDNBYUQDDOQLZSX-UHFFFAOYSA-N
XLogP1.82
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(2,3,6-trimethyl-N-(2-oxooxolan-3-yl)anilino)ethyl] acetate?
The IUPAC name of [2-oxo-2-(2,3,6-trimethyl-N-(2-oxooxolan-3-yl)anilino)ethyl] acetate (CID 13118641) is [2-oxo-2-(2,3,6-trimethyl-N-(2-oxooxolan-3-yl)anilino)ethyl] acetate.
What is the SMILES notation for [2-oxo-2-(2,3,6-trimethyl-N-(2-oxooxolan-3-yl)anilino)ethyl] acetate?
The canonical SMILES for [2-oxo-2-(2,3,6-trimethyl-N-(2-oxooxolan-3-yl)anilino)ethyl] acetate is CC(=O)OCC(=O)N(c1c(C)ccc(C)c1C)C1CCOC1=O.
What is the InChIKey of [2-oxo-2-(2,3,6-trimethyl-N-(2-oxooxolan-3-yl)anilino)ethyl] acetate?
The InChIKey is DNBYUQDDOQLZSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO5/c1-10-5-6-11(2)16(12(10)3)18(14-7-8-22-17(14)21)15(20)9-23-13(4)19/h5-6,14H,7-9H2,1-4H3.
What are the key properties of [2-oxo-2-(2,3,6-trimethyl-N-(2-oxooxolan-3-yl)anilino)ethyl] acetate?
[2-oxo-2-(2,3,6-trimethyl-N-(2-oxooxolan-3-yl)anilino)ethyl] acetate has a molecular weight of 319.36 g/mol, XLogP of 1.82, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(2,3,6-trimethyl-N-(2-oxooxolan-3-yl)anilino)ethyl] acetate is sourced from PubChem (CID 13118641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).