[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl] 3-cyclopentylpropanoate

C18H29NO3 — CID 55315085

IUPAC[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl] 3-cyclopentylpropanoate
SMILESO=C(COC(=O)CCC1CCCC1)NCCC1=CCCCC1
InChIInChI=1S/C18H29NO3/c20-17(19-13-12-16-6-2-1-3-7-16)14-22-18(21)11-10-15-8-4-5-9-15/h6,15H,1-5,7-14H2,(H,19,20)
InChIKeyMHFREUZAGOIBNT-UHFFFAOYSA-N
MW307.43 g/mol
LogP3.51
Rot. Bonds8

About [2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl] 3-cyclopentylpropanoate

[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl] 3-cyclopentylpropanoate (PubChem CID 55315085) 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] 3-cyclopentylpropanoate.

Molecular Properties

Compound Name[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl] 3-cyclopentylpropanoate
PubChem CID55315085
Molecular FormulaC18H29NO3
Molecular Weight307.43 g/mol
Exact Mass307.21
IUPAC Name[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl] 3-cyclopentylpropanoate
SMILESO=C(COC(=O)CCC1CCCC1)NCCC1=CCCCC1
InChIInChI=1S/C18H29NO3/c20-17(19-13-12-16-6-2-1-3-7-16)14-22-18(21)11-10-15-8-4-5-9-15/h6,15H,1-5,7-14H2,(H,19,20)
InChIKeyMHFREUZAGOIBNT-UHFFFAOYSA-N
XLogP3.51
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
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] 3-cyclopentylpropanoate?
The IUPAC name of [2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl] 3-cyclopentylpropanoate (CID 55315085) is [2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl] 3-cyclopentylpropanoate.
What is the SMILES notation for [2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl] 3-cyclopentylpropanoate?
The canonical SMILES for [2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl] 3-cyclopentylpropanoate is O=C(COC(=O)CCC1CCCC1)NCCC1=CCCCC1.
What is the InChIKey of [2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl] 3-cyclopentylpropanoate?
The InChIKey is MHFREUZAGOIBNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO3/c20-17(19-13-12-16-6-2-1-3-7-16)14-22-18(21)11-10-15-8-4-5-9-15/h6,15H,1-5,7-14H2,(H,19,20).
What are the key properties of [2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl] 3-cyclopentylpropanoate?
[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl] 3-cyclopentylpropanoate has a molecular weight of 307.43 g/mol, XLogP of 3.51, 8 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] 3-cyclopentylpropanoate is sourced from PubChem (CID 55315085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).