[2-oxo-2-(4-propan-2-ylanilino)ethyl] cyclohexanecarboxylate

C18H25NO3 — CID 2338273

IUPAC[2-oxo-2-(4-propan-2-ylanilino)ethyl] cyclohexanecarboxylate
SMILESCC(C)c1ccc(NC(=O)COC(=O)C2CCCCC2)cc1
InChIInChI=1S/C18H25NO3/c1-13(2)14-8-10-16(11-9-14)19-17(20)12-22-18(21)15-6-4-3-5-7-15/h8-11,13,15H,3-7,12H2,1-2H3,(H,19,20)
InChIKeyAICZCYPCERPLBB-UHFFFAOYSA-N
MW303.40 g/mol
LogP3.87
Rot. Bonds5

About [2-oxo-2-(4-propan-2-ylanilino)ethyl] cyclohexanecarboxylate

[2-oxo-2-(4-propan-2-ylanilino)ethyl] cyclohexanecarboxylate (PubChem CID 2338273) has the molecular formula C18H25NO3 and a molecular weight of 303.40 g/mol. Its IUPAC name is [2-oxo-2-(4-propan-2-ylanilino)ethyl] cyclohexanecarboxylate.

Molecular Properties

Compound Name[2-oxo-2-(4-propan-2-ylanilino)ethyl] cyclohexanecarboxylate
PubChem CID2338273
Molecular FormulaC18H25NO3
Molecular Weight303.40 g/mol
Exact Mass303.18
IUPAC Name[2-oxo-2-(4-propan-2-ylanilino)ethyl] cyclohexanecarboxylate
SMILESCC(C)c1ccc(NC(=O)COC(=O)C2CCCCC2)cc1
InChIInChI=1S/C18H25NO3/c1-13(2)14-8-10-16(11-9-14)19-17(20)12-22-18(21)15-6-4-3-5-7-15/h8-11,13,15H,3-7,12H2,1-2H3,(H,19,20)
InChIKeyAICZCYPCERPLBB-UHFFFAOYSA-N
XLogP3.87
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.40
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(4-propan-2-ylanilino)ethyl] cyclohexanecarboxylate?
The IUPAC name of [2-oxo-2-(4-propan-2-ylanilino)ethyl] cyclohexanecarboxylate (CID 2338273) is [2-oxo-2-(4-propan-2-ylanilino)ethyl] cyclohexanecarboxylate.
What is the SMILES notation for [2-oxo-2-(4-propan-2-ylanilino)ethyl] cyclohexanecarboxylate?
The canonical SMILES for [2-oxo-2-(4-propan-2-ylanilino)ethyl] cyclohexanecarboxylate is CC(C)c1ccc(NC(=O)COC(=O)C2CCCCC2)cc1.
What is the InChIKey of [2-oxo-2-(4-propan-2-ylanilino)ethyl] cyclohexanecarboxylate?
The InChIKey is AICZCYPCERPLBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO3/c1-13(2)14-8-10-16(11-9-14)19-17(20)12-22-18(21)15-6-4-3-5-7-15/h8-11,13,15H,3-7,12H2,1-2H3,(H,19,20).
What are the key properties of [2-oxo-2-(4-propan-2-ylanilino)ethyl] cyclohexanecarboxylate?
[2-oxo-2-(4-propan-2-ylanilino)ethyl] cyclohexanecarboxylate has a molecular weight of 303.40 g/mol, XLogP of 3.87, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(4-propan-2-ylanilino)ethyl] cyclohexanecarboxylate is sourced from PubChem (CID 2338273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).