ethyl 2-[2-(4-methylphenyl)-3-oxo-1,4-diazaspiro[4.4]non-1-en-4-yl]acetate

C18H22N2O3 — CID 58103843

IUPACethyl 2-[2-(4-methylphenyl)-3-oxo-1,4-diazaspiro[4.4]non-1-en-4-yl]acetate
SMILESCCOC(=O)CN1C(=O)C(c2ccc(C)cc2)=NC12CCCC2
InChIInChI=1S/C18H22N2O3/c1-3-23-15(21)12-20-17(22)16(14-8-6-13(2)7-9-14)19-18(20)10-4-5-11-18/h6-9H,3-5,10-12H2,1-2H3
InChIKeySUURXTSNHLOHNP-UHFFFAOYSA-N
MW314.39 g/mol
LogP2.46
Rot. Bonds4

About ethyl 2-[2-(4-methylphenyl)-3-oxo-1,4-diazaspiro[4.4]non-1-en-4-yl]acetate

ethyl 2-[2-(4-methylphenyl)-3-oxo-1,4-diazaspiro[4.4]non-1-en-4-yl]acetate (PubChem CID 58103843) has the molecular formula C18H22N2O3 and a molecular weight of 314.39 g/mol. Its IUPAC name is ethyl 2-[2-(4-methylphenyl)-3-oxo-1,4-diazaspiro[4.4]non-1-en-4-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-(4-methylphenyl)-3-oxo-1,4-diazaspiro[4.4]non-1-en-4-yl]acetate
PubChem CID58103843
Molecular FormulaC18H22N2O3
Molecular Weight314.39 g/mol
Exact Mass314.16
IUPAC Nameethyl 2-[2-(4-methylphenyl)-3-oxo-1,4-diazaspiro[4.4]non-1-en-4-yl]acetate
SMILESCCOC(=O)CN1C(=O)C(c2ccc(C)cc2)=NC12CCCC2
InChIInChI=1S/C18H22N2O3/c1-3-23-15(21)12-20-17(22)16(14-8-6-13(2)7-9-14)19-18(20)10-4-5-11-18/h6-9H,3-5,10-12H2,1-2H3
InChIKeySUURXTSNHLOHNP-UHFFFAOYSA-N
XLogP2.46
TPSA58.97 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(4-methylphenyl)-3-oxo-1,4-diazaspiro[4.4]non-1-en-4-yl]acetate?
The IUPAC name of ethyl 2-[2-(4-methylphenyl)-3-oxo-1,4-diazaspiro[4.4]non-1-en-4-yl]acetate (CID 58103843) is ethyl 2-[2-(4-methylphenyl)-3-oxo-1,4-diazaspiro[4.4]non-1-en-4-yl]acetate.
What is the SMILES notation for ethyl 2-[2-(4-methylphenyl)-3-oxo-1,4-diazaspiro[4.4]non-1-en-4-yl]acetate?
The canonical SMILES for ethyl 2-[2-(4-methylphenyl)-3-oxo-1,4-diazaspiro[4.4]non-1-en-4-yl]acetate is CCOC(=O)CN1C(=O)C(c2ccc(C)cc2)=NC12CCCC2.
What is the InChIKey of ethyl 2-[2-(4-methylphenyl)-3-oxo-1,4-diazaspiro[4.4]non-1-en-4-yl]acetate?
The InChIKey is SUURXTSNHLOHNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3/c1-3-23-15(21)12-20-17(22)16(14-8-6-13(2)7-9-14)19-18(20)10-4-5-11-18/h6-9H,3-5,10-12H2,1-2H3.
What are the key properties of ethyl 2-[2-(4-methylphenyl)-3-oxo-1,4-diazaspiro[4.4]non-1-en-4-yl]acetate?
ethyl 2-[2-(4-methylphenyl)-3-oxo-1,4-diazaspiro[4.4]non-1-en-4-yl]acetate has a molecular weight of 314.39 g/mol, XLogP of 2.46, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(4-methylphenyl)-3-oxo-1,4-diazaspiro[4.4]non-1-en-4-yl]acetate is sourced from PubChem (CID 58103843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).