3-[2-(4-methoxyphenyl)-2-oxoethyl]-1,3-diazaspiro[4.6]undecane-2,4-dione

C18H22N2O4 — CID 7170186

IUPAC3-[2-(4-methoxyphenyl)-2-oxoethyl]-1,3-diazaspiro[4.6]undecane-2,4-dione
SMILESCOc1ccc(C(=O)CN2C(=O)NC3(CCCCCC3)C2=O)cc1
InChIInChI=1S/C18H22N2O4/c1-24-14-8-6-13(7-9-14)15(21)12-20-16(22)18(19-17(20)23)10-4-2-3-5-11-18/h6-9H,2-5,10-12H2,1H3,(H,19,23)
InChIKeyWQJSMSMBMZXHMY-UHFFFAOYSA-N
MW330.38 g/mol
LogP2.52
Rot. Bonds4

About 3-[2-(4-methoxyphenyl)-2-oxoethyl]-1,3-diazaspiro[4.6]undecane-2,4-dione

3-[2-(4-methoxyphenyl)-2-oxoethyl]-1,3-diazaspiro[4.6]undecane-2,4-dione (PubChem CID 7170186) has the molecular formula C18H22N2O4 and a molecular weight of 330.38 g/mol. Its IUPAC name is 3-[2-(4-methoxyphenyl)-2-oxoethyl]-1,3-diazaspiro[4.6]undecane-2,4-dione.

Molecular Properties

Compound Name3-[2-(4-methoxyphenyl)-2-oxoethyl]-1,3-diazaspiro[4.6]undecane-2,4-dione
PubChem CID7170186
Molecular FormulaC18H22N2O4
Molecular Weight330.38 g/mol
Exact Mass330.16
IUPAC Name3-[2-(4-methoxyphenyl)-2-oxoethyl]-1,3-diazaspiro[4.6]undecane-2,4-dione
SMILESCOc1ccc(C(=O)CN2C(=O)NC3(CCCCCC3)C2=O)cc1
InChIInChI=1S/C18H22N2O4/c1-24-14-8-6-13(7-9-14)15(21)12-20-16(22)18(19-17(20)23)10-4-2-3-5-11-18/h6-9H,2-5,10-12H2,1H3,(H,19,23)
InChIKeyWQJSMSMBMZXHMY-UHFFFAOYSA-N
XLogP2.52
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-methoxyphenyl)-2-oxoethyl]-1,3-diazaspiro[4.6]undecane-2,4-dione?
The IUPAC name of 3-[2-(4-methoxyphenyl)-2-oxoethyl]-1,3-diazaspiro[4.6]undecane-2,4-dione (CID 7170186) is 3-[2-(4-methoxyphenyl)-2-oxoethyl]-1,3-diazaspiro[4.6]undecane-2,4-dione.
What is the SMILES notation for 3-[2-(4-methoxyphenyl)-2-oxoethyl]-1,3-diazaspiro[4.6]undecane-2,4-dione?
The canonical SMILES for 3-[2-(4-methoxyphenyl)-2-oxoethyl]-1,3-diazaspiro[4.6]undecane-2,4-dione is COc1ccc(C(=O)CN2C(=O)NC3(CCCCCC3)C2=O)cc1.
What is the InChIKey of 3-[2-(4-methoxyphenyl)-2-oxoethyl]-1,3-diazaspiro[4.6]undecane-2,4-dione?
The InChIKey is WQJSMSMBMZXHMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4/c1-24-14-8-6-13(7-9-14)15(21)12-20-16(22)18(19-17(20)23)10-4-2-3-5-11-18/h6-9H,2-5,10-12H2,1H3,(H,19,23).
What are the key properties of 3-[2-(4-methoxyphenyl)-2-oxoethyl]-1,3-diazaspiro[4.6]undecane-2,4-dione?
3-[2-(4-methoxyphenyl)-2-oxoethyl]-1,3-diazaspiro[4.6]undecane-2,4-dione has a molecular weight of 330.38 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-methoxyphenyl)-2-oxoethyl]-1,3-diazaspiro[4.6]undecane-2,4-dione is sourced from PubChem (CID 7170186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).