[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl] acetate

C16H23NO3 — CID 2524544

IUPAC[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl] acetate
SMILESCC(=O)OCC(=O)Nc1c(C(C)C)cccc1C(C)C
InChIInChI=1S/C16H23NO3/c1-10(2)13-7-6-8-14(11(3)4)16(13)17-15(19)9-20-12(5)18/h6-8,10-11H,9H2,1-5H3,(H,17,19)
InChIKeyVTRNTMGFPUYNMN-UHFFFAOYSA-N
MW277.36 g/mol
LogP3.43
Rot. Bonds5

About [2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl] acetate

[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl] acetate (PubChem CID 2524544) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is [2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl] acetate.

Molecular Properties

Compound Name[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl] acetate
PubChem CID2524544
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Name[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl] acetate
SMILESCC(=O)OCC(=O)Nc1c(C(C)C)cccc1C(C)C
InChIInChI=1S/C16H23NO3/c1-10(2)13-7-6-8-14(11(3)4)16(13)17-15(19)9-20-12(5)18/h6-8,10-11H,9H2,1-5H3,(H,17,19)
InChIKeyVTRNTMGFPUYNMN-UHFFFAOYSA-N
XLogP3.43
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl] acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl] acetate?
The IUPAC name of [2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl] acetate (CID 2524544) is [2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl] acetate.
What is the SMILES notation for [2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl] acetate?
The canonical SMILES for [2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl] acetate is CC(=O)OCC(=O)Nc1c(C(C)C)cccc1C(C)C.
What is the InChIKey of [2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl] acetate?
The InChIKey is VTRNTMGFPUYNMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-10(2)13-7-6-8-14(11(3)4)16(13)17-15(19)9-20-12(5)18/h6-8,10-11H,9H2,1-5H3,(H,17,19).
What are the key properties of [2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl] acetate?
[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl] acetate has a molecular weight of 277.36 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl] acetate is sourced from PubChem (CID 2524544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).