4-[1-(4-morpholin-4-ylphenyl)ethylamino]-1-oxaspiro[4.5]dec-3-en-2-one

C21H28N2O3 — CID 5304796

IUPAC4-[1-(4-morpholin-4-ylphenyl)ethylamino]-1-oxaspiro[4.5]dec-3-en-2-one
SMILESCC(NC1=CC(=O)OC12CCCCC2)c1ccc(N2CCOCC2)cc1
InChIInChI=1S/C21H28N2O3/c1-16(17-5-7-18(8-6-17)23-11-13-25-14-12-23)22-19-15-20(24)26-21(19)9-3-2-4-10-21/h5-8,15-16,22H,2-4,9-14H2,1H3
InChIKeySPXUXZDURYCUPG-UHFFFAOYSA-N
MW356.47 g/mol
LogP3.32
Rot. Bonds4

About 4-[1-(4-morpholin-4-ylphenyl)ethylamino]-1-oxaspiro[4.5]dec-3-en-2-one

4-[1-(4-morpholin-4-ylphenyl)ethylamino]-1-oxaspiro[4.5]dec-3-en-2-one (PubChem CID 5304796) has the molecular formula C21H28N2O3 and a molecular weight of 356.47 g/mol. Its IUPAC name is 4-[1-(4-morpholin-4-ylphenyl)ethylamino]-1-oxaspiro[4.5]dec-3-en-2-one.

Molecular Properties

Compound Name4-[1-(4-morpholin-4-ylphenyl)ethylamino]-1-oxaspiro[4.5]dec-3-en-2-one
PubChem CID5304796
Molecular FormulaC21H28N2O3
Molecular Weight356.47 g/mol
Exact Mass356.21
IUPAC Name4-[1-(4-morpholin-4-ylphenyl)ethylamino]-1-oxaspiro[4.5]dec-3-en-2-one
SMILESCC(NC1=CC(=O)OC12CCCCC2)c1ccc(N2CCOCC2)cc1
InChIInChI=1S/C21H28N2O3/c1-16(17-5-7-18(8-6-17)23-11-13-25-14-12-23)22-19-15-20(24)26-21(19)9-3-2-4-10-21/h5-8,15-16,22H,2-4,9-14H2,1H3
InChIKeySPXUXZDURYCUPG-UHFFFAOYSA-N
XLogP3.32
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-morpholin-4-ylphenyl)ethylamino]-1-oxaspiro[4.5]dec-3-en-2-one?
The IUPAC name of 4-[1-(4-morpholin-4-ylphenyl)ethylamino]-1-oxaspiro[4.5]dec-3-en-2-one (CID 5304796) is 4-[1-(4-morpholin-4-ylphenyl)ethylamino]-1-oxaspiro[4.5]dec-3-en-2-one.
What is the SMILES notation for 4-[1-(4-morpholin-4-ylphenyl)ethylamino]-1-oxaspiro[4.5]dec-3-en-2-one?
The canonical SMILES for 4-[1-(4-morpholin-4-ylphenyl)ethylamino]-1-oxaspiro[4.5]dec-3-en-2-one is CC(NC1=CC(=O)OC12CCCCC2)c1ccc(N2CCOCC2)cc1.
What is the InChIKey of 4-[1-(4-morpholin-4-ylphenyl)ethylamino]-1-oxaspiro[4.5]dec-3-en-2-one?
The InChIKey is SPXUXZDURYCUPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O3/c1-16(17-5-7-18(8-6-17)23-11-13-25-14-12-23)22-19-15-20(24)26-21(19)9-3-2-4-10-21/h5-8,15-16,22H,2-4,9-14H2,1H3.
What are the key properties of 4-[1-(4-morpholin-4-ylphenyl)ethylamino]-1-oxaspiro[4.5]dec-3-en-2-one?
4-[1-(4-morpholin-4-ylphenyl)ethylamino]-1-oxaspiro[4.5]dec-3-en-2-one has a molecular weight of 356.47 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-morpholin-4-ylphenyl)ethylamino]-1-oxaspiro[4.5]dec-3-en-2-one is sourced from PubChem (CID 5304796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).