[2-(4-acetamidoanilino)-2-oxoethyl] cyclohexanecarboxylate

C17H22N2O4 — CID 2365224

IUPAC[2-(4-acetamidoanilino)-2-oxoethyl] cyclohexanecarboxylate
SMILESCC(=O)Nc1ccc(NC(=O)COC(=O)C2CCCCC2)cc1
InChIInChI=1S/C17H22N2O4/c1-12(20)18-14-7-9-15(10-8-14)19-16(21)11-23-17(22)13-5-3-2-4-6-13/h7-10,13H,2-6,11H2,1H3,(H,18,20)(H,19,21)
InChIKeyGAYSANPSTCJRKL-UHFFFAOYSA-N
MW318.37 g/mol
LogP2.71
Rot. Bonds5

About [2-(4-acetamidoanilino)-2-oxoethyl] cyclohexanecarboxylate

[2-(4-acetamidoanilino)-2-oxoethyl] cyclohexanecarboxylate (PubChem CID 2365224) has the molecular formula C17H22N2O4 and a molecular weight of 318.37 g/mol. Its IUPAC name is [2-(4-acetamidoanilino)-2-oxoethyl] cyclohexanecarboxylate.

Molecular Properties

Compound Name[2-(4-acetamidoanilino)-2-oxoethyl] cyclohexanecarboxylate
PubChem CID2365224
Molecular FormulaC17H22N2O4
Molecular Weight318.37 g/mol
Exact Mass318.16
IUPAC Name[2-(4-acetamidoanilino)-2-oxoethyl] cyclohexanecarboxylate
SMILESCC(=O)Nc1ccc(NC(=O)COC(=O)C2CCCCC2)cc1
InChIInChI=1S/C17H22N2O4/c1-12(20)18-14-7-9-15(10-8-14)19-16(21)11-23-17(22)13-5-3-2-4-6-13/h7-10,13H,2-6,11H2,1H3,(H,18,20)(H,19,21)
InChIKeyGAYSANPSTCJRKL-UHFFFAOYSA-N
XLogP2.71
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(4-acetamidoanilino)-2-oxoethyl] cyclohexanecarboxylate?
The IUPAC name of [2-(4-acetamidoanilino)-2-oxoethyl] cyclohexanecarboxylate (CID 2365224) is [2-(4-acetamidoanilino)-2-oxoethyl] cyclohexanecarboxylate.
What is the SMILES notation for [2-(4-acetamidoanilino)-2-oxoethyl] cyclohexanecarboxylate?
The canonical SMILES for [2-(4-acetamidoanilino)-2-oxoethyl] cyclohexanecarboxylate is CC(=O)Nc1ccc(NC(=O)COC(=O)C2CCCCC2)cc1.
What is the InChIKey of [2-(4-acetamidoanilino)-2-oxoethyl] cyclohexanecarboxylate?
The InChIKey is GAYSANPSTCJRKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O4/c1-12(20)18-14-7-9-15(10-8-14)19-16(21)11-23-17(22)13-5-3-2-4-6-13/h7-10,13H,2-6,11H2,1H3,(H,18,20)(H,19,21).
What are the key properties of [2-(4-acetamidoanilino)-2-oxoethyl] cyclohexanecarboxylate?
[2-(4-acetamidoanilino)-2-oxoethyl] cyclohexanecarboxylate has a molecular weight of 318.37 g/mol, XLogP of 2.71, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-acetamidoanilino)-2-oxoethyl] cyclohexanecarboxylate is sourced from PubChem (CID 2365224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).