[2-oxo-2-(2-phenylethylamino)ethyl] cyclohexanecarboxylate

C17H23NO3 — CID 3612465

IUPAC[2-oxo-2-(2-phenylethylamino)ethyl] cyclohexanecarboxylate
SMILESO=C(COC(=O)C1CCCCC1)NCCc1ccccc1
InChIInChI=1S/C17H23NO3/c19-16(18-12-11-14-7-3-1-4-8-14)13-21-17(20)15-9-5-2-6-10-15/h1,3-4,7-8,15H,2,5-6,9-13H2,(H,18,19)
InChIKeyXIPUZVUBRVJXPB-UHFFFAOYSA-N
MW289.37 g/mol
LogP2.47
Rot. Bonds6

About [2-oxo-2-(2-phenylethylamino)ethyl] cyclohexanecarboxylate

[2-oxo-2-(2-phenylethylamino)ethyl] cyclohexanecarboxylate (PubChem CID 3612465) has the molecular formula C17H23NO3 and a molecular weight of 289.37 g/mol. Its IUPAC name is [2-oxo-2-(2-phenylethylamino)ethyl] cyclohexanecarboxylate.

Molecular Properties

Compound Name[2-oxo-2-(2-phenylethylamino)ethyl] cyclohexanecarboxylate
PubChem CID3612465
Molecular FormulaC17H23NO3
Molecular Weight289.37 g/mol
Exact Mass289.17
IUPAC Name[2-oxo-2-(2-phenylethylamino)ethyl] cyclohexanecarboxylate
SMILESO=C(COC(=O)C1CCCCC1)NCCc1ccccc1
InChIInChI=1S/C17H23NO3/c19-16(18-12-11-14-7-3-1-4-8-14)13-21-17(20)15-9-5-2-6-10-15/h1,3-4,7-8,15H,2,5-6,9-13H2,(H,18,19)
InChIKeyXIPUZVUBRVJXPB-UHFFFAOYSA-N
XLogP2.47
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.37
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(2-phenylethylamino)ethyl] cyclohexanecarboxylate?
The IUPAC name of [2-oxo-2-(2-phenylethylamino)ethyl] cyclohexanecarboxylate (CID 3612465) is [2-oxo-2-(2-phenylethylamino)ethyl] cyclohexanecarboxylate.
What is the SMILES notation for [2-oxo-2-(2-phenylethylamino)ethyl] cyclohexanecarboxylate?
The canonical SMILES for [2-oxo-2-(2-phenylethylamino)ethyl] cyclohexanecarboxylate is O=C(COC(=O)C1CCCCC1)NCCc1ccccc1.
What is the InChIKey of [2-oxo-2-(2-phenylethylamino)ethyl] cyclohexanecarboxylate?
The InChIKey is XIPUZVUBRVJXPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO3/c19-16(18-12-11-14-7-3-1-4-8-14)13-21-17(20)15-9-5-2-6-10-15/h1,3-4,7-8,15H,2,5-6,9-13H2,(H,18,19).
What are the key properties of [2-oxo-2-(2-phenylethylamino)ethyl] cyclohexanecarboxylate?
[2-oxo-2-(2-phenylethylamino)ethyl] cyclohexanecarboxylate has a molecular weight of 289.37 g/mol, XLogP of 2.47, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(2-phenylethylamino)ethyl] cyclohexanecarboxylate is sourced from PubChem (CID 3612465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).