[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl] 2-cyclohexylacetate

C18H29NO3 — CID 55325022

IUPAC[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl] 2-cyclohexylacetate
SMILESO=C(COC(=O)CC1CCCCC1)NCCC1=CCCCC1
InChIInChI=1S/C18H29NO3/c20-17(19-12-11-15-7-3-1-4-8-15)14-22-18(21)13-16-9-5-2-6-10-16/h7,16H,1-6,8-14H2,(H,19,20)
InChIKeyZPIHODRLWZEQRO-UHFFFAOYSA-N
MW307.43 g/mol
LogP3.51
Rot. Bonds7

About [2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl] 2-cyclohexylacetate

[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl] 2-cyclohexylacetate (PubChem CID 55325022) has the molecular formula C18H29NO3 and a molecular weight of 307.43 g/mol. Its IUPAC name is [2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl] 2-cyclohexylacetate.

Molecular Properties

Compound Name[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl] 2-cyclohexylacetate
PubChem CID55325022
Molecular FormulaC18H29NO3
Molecular Weight307.43 g/mol
Exact Mass307.21
IUPAC Name[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl] 2-cyclohexylacetate
SMILESO=C(COC(=O)CC1CCCCC1)NCCC1=CCCCC1
InChIInChI=1S/C18H29NO3/c20-17(19-12-11-15-7-3-1-4-8-15)14-22-18(21)13-16-9-5-2-6-10-16/h7,16H,1-6,8-14H2,(H,19,20)
InChIKeyZPIHODRLWZEQRO-UHFFFAOYSA-N
XLogP3.51
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.43
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl] 2-cyclohexylacetate?
The IUPAC name of [2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl] 2-cyclohexylacetate (CID 55325022) is [2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl] 2-cyclohexylacetate.
What is the SMILES notation for [2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl] 2-cyclohexylacetate?
The canonical SMILES for [2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl] 2-cyclohexylacetate is O=C(COC(=O)CC1CCCCC1)NCCC1=CCCCC1.
What is the InChIKey of [2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl] 2-cyclohexylacetate?
The InChIKey is ZPIHODRLWZEQRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO3/c20-17(19-12-11-15-7-3-1-4-8-15)14-22-18(21)13-16-9-5-2-6-10-16/h7,16H,1-6,8-14H2,(H,19,20).
What are the key properties of [2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl] 2-cyclohexylacetate?
[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl] 2-cyclohexylacetate has a molecular weight of 307.43 g/mol, XLogP of 3.51, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl] 2-cyclohexylacetate is sourced from PubChem (CID 55325022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).