9-[3-(4-ethylphenyl)propanoyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one

C18H24N2O3 — CID 56915695

IUPAC9-[3-(4-ethylphenyl)propanoyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one
SMILESCCc1ccc(CCC(=O)N2CCCC3(CNC(=O)O3)C2)cc1
InChIInChI=1S/C18H24N2O3/c1-2-14-4-6-15(7-5-14)8-9-16(21)20-11-3-10-18(13-20)12-19-17(22)23-18/h4-7H,2-3,8-13H2,1H3,(H,19,22)
InChIKeyONNKGLAXWDJIBI-UHFFFAOYSA-N
MW316.40 g/mol
LogP2.28
Rot. Bonds4

About 9-[3-(4-ethylphenyl)propanoyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one

9-[3-(4-ethylphenyl)propanoyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one (PubChem CID 56915695) has the molecular formula C18H24N2O3 and a molecular weight of 316.40 g/mol. Its IUPAC name is 9-[3-(4-ethylphenyl)propanoyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name9-[3-(4-ethylphenyl)propanoyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one
PubChem CID56915695
Molecular FormulaC18H24N2O3
Molecular Weight316.40 g/mol
Exact Mass316.18
IUPAC Name9-[3-(4-ethylphenyl)propanoyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one
SMILESCCc1ccc(CCC(=O)N2CCCC3(CNC(=O)O3)C2)cc1
InChIInChI=1S/C18H24N2O3/c1-2-14-4-6-15(7-5-14)8-9-16(21)20-11-3-10-18(13-20)12-19-17(22)23-18/h4-7H,2-3,8-13H2,1H3,(H,19,22)
InChIKeyONNKGLAXWDJIBI-UHFFFAOYSA-N
XLogP2.28
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 9-[3-(4-ethylphenyl)propanoyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one?
The IUPAC name of 9-[3-(4-ethylphenyl)propanoyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one (CID 56915695) is 9-[3-(4-ethylphenyl)propanoyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 9-[3-(4-ethylphenyl)propanoyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 9-[3-(4-ethylphenyl)propanoyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one is CCc1ccc(CCC(=O)N2CCCC3(CNC(=O)O3)C2)cc1.
What is the InChIKey of 9-[3-(4-ethylphenyl)propanoyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one?
The InChIKey is ONNKGLAXWDJIBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3/c1-2-14-4-6-15(7-5-14)8-9-16(21)20-11-3-10-18(13-20)12-19-17(22)23-18/h4-7H,2-3,8-13H2,1H3,(H,19,22).
What are the key properties of 9-[3-(4-ethylphenyl)propanoyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one?
9-[3-(4-ethylphenyl)propanoyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one has a molecular weight of 316.40 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-(4-ethylphenyl)propanoyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 56915695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).