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

C18H27NO4 — CID 2563965

IUPAC[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl] 2-ethoxyacetate
SMILESCCOCC(=O)OCC(=O)Nc1c(C(C)C)cccc1C(C)C
InChIInChI=1S/C18H27NO4/c1-6-22-11-17(21)23-10-16(20)19-18-14(12(2)3)8-7-9-15(18)13(4)5/h7-9,12-13H,6,10-11H2,1-5H3,(H,19,20)
InChIKeyJMZFBOYOTJMODT-UHFFFAOYSA-N
MW321.42 g/mol
LogP3.45
Rot. Bonds8

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

[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl] 2-ethoxyacetate (PubChem CID 2563965) has the molecular formula C18H27NO4 and a molecular weight of 321.42 g/mol. Its IUPAC name is [2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl] 2-ethoxyacetate.

Molecular Properties

Compound Name[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl] 2-ethoxyacetate
PubChem CID2563965
Molecular FormulaC18H27NO4
Molecular Weight321.42 g/mol
Exact Mass321.19
IUPAC Name[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl] 2-ethoxyacetate
SMILESCCOCC(=O)OCC(=O)Nc1c(C(C)C)cccc1C(C)C
InChIInChI=1S/C18H27NO4/c1-6-22-11-17(21)23-10-16(20)19-18-14(12(2)3)8-7-9-15(18)13(4)5/h7-9,12-13H,6,10-11H2,1-5H3,(H,19,20)
InChIKeyJMZFBOYOTJMODT-UHFFFAOYSA-N
XLogP3.45
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl] propanoate
CID 7851212
[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl] 2-(2-methylphenyl)acetate
CID 8983016
[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl] 2-naphthalen-2-yloxyacetate
CID 8821336
[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl] 2-(3-methylphenoxy)acetate
CID 8910451
[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl] 2-cyclohexylacetate
CID 42968314
[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl] 3,4,5-triethoxybenzoate
CID 40823928
[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl] 3-cyclopentylpropanoate
CID 8580413
[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl] 4-(4-fluorophenyl)-4-oxobutanoate
CID 2435644
[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl] 2-(4-chlorophenoxy)propanoate
CID 4050676
[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl] 2-[(1R)-cyclopent-2-en-1-yl]acetate
CID 9065641
[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl] 2-(4-propanoylphenoxy)acetate
CID 7855178
[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl] furan-2-carboxylate
CID 2689588

Frequently Asked Questions

What is the IUPAC name of [2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl] 2-ethoxyacetate?
The IUPAC name of [2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl] 2-ethoxyacetate (CID 2563965) is [2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl] 2-ethoxyacetate.
What is the SMILES notation for [2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl] 2-ethoxyacetate?
The canonical SMILES for [2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl] 2-ethoxyacetate is CCOCC(=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] 2-ethoxyacetate?
The InChIKey is JMZFBOYOTJMODT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO4/c1-6-22-11-17(21)23-10-16(20)19-18-14(12(2)3)8-7-9-15(18)13(4)5/h7-9,12-13H,6,10-11H2,1-5H3,(H,19,20).
What are the key properties of [2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl] 2-ethoxyacetate?
[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl] 2-ethoxyacetate has a molecular weight of 321.42 g/mol, XLogP of 3.45, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl] 2-ethoxyacetate is sourced from PubChem (CID 2563965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).