ethyl 2-cyclohexyl-3-morpholin-4-yl-3-oxopropanoate

C15H25NO4 — CID 2836841

IUPACethyl 2-cyclohexyl-3-morpholin-4-yl-3-oxopropanoate
SMILESCCOC(=O)C(C(=O)N1CCOCC1)C1CCCCC1
InChIInChI=1S/C15H25NO4/c1-2-20-15(18)13(12-6-4-3-5-7-12)14(17)16-8-10-19-11-9-16/h12-13H,2-11H2,1H3
InChIKeyUSZRSJWEOOFMIP-UHFFFAOYSA-N
MW283.37 g/mol
LogP1.60
Rot. Bonds4

About ethyl 2-cyclohexyl-3-morpholin-4-yl-3-oxopropanoate

ethyl 2-cyclohexyl-3-morpholin-4-yl-3-oxopropanoate (PubChem CID 2836841) has the molecular formula C15H25NO4 and a molecular weight of 283.37 g/mol. Its IUPAC name is ethyl 2-cyclohexyl-3-morpholin-4-yl-3-oxopropanoate.

Molecular Properties

Compound Nameethyl 2-cyclohexyl-3-morpholin-4-yl-3-oxopropanoate
PubChem CID2836841
Molecular FormulaC15H25NO4
Molecular Weight283.37 g/mol
Exact Mass283.18
IUPAC Nameethyl 2-cyclohexyl-3-morpholin-4-yl-3-oxopropanoate
SMILESCCOC(=O)C(C(=O)N1CCOCC1)C1CCCCC1
InChIInChI=1S/C15H25NO4/c1-2-20-15(18)13(12-6-4-3-5-7-12)14(17)16-8-10-19-11-9-16/h12-13H,2-11H2,1H3
InChIKeyUSZRSJWEOOFMIP-UHFFFAOYSA-N
XLogP1.60
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-cyclohexyl-3-morpholin-4-yl-3-oxopropanoate?
The IUPAC name of ethyl 2-cyclohexyl-3-morpholin-4-yl-3-oxopropanoate (CID 2836841) is ethyl 2-cyclohexyl-3-morpholin-4-yl-3-oxopropanoate.
What is the SMILES notation for ethyl 2-cyclohexyl-3-morpholin-4-yl-3-oxopropanoate?
The canonical SMILES for ethyl 2-cyclohexyl-3-morpholin-4-yl-3-oxopropanoate is CCOC(=O)C(C(=O)N1CCOCC1)C1CCCCC1.
What is the InChIKey of ethyl 2-cyclohexyl-3-morpholin-4-yl-3-oxopropanoate?
The InChIKey is USZRSJWEOOFMIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO4/c1-2-20-15(18)13(12-6-4-3-5-7-12)14(17)16-8-10-19-11-9-16/h12-13H,2-11H2,1H3.
What are the key properties of ethyl 2-cyclohexyl-3-morpholin-4-yl-3-oxopropanoate?
ethyl 2-cyclohexyl-3-morpholin-4-yl-3-oxopropanoate has a molecular weight of 283.37 g/mol, XLogP of 1.60, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-cyclohexyl-3-morpholin-4-yl-3-oxopropanoate is sourced from PubChem (CID 2836841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).