2-[(4-methoxyphenyl)methyl]-2,8-diazaspiro[5.5]undecane-1,3-dione

C17H22N2O3 — CID 146160230

IUPAC2-[(4-methoxyphenyl)methyl]-2,8-diazaspiro[5.5]undecane-1,3-dione
SMILESCOc1ccc(CN2C(=O)CCC3(CCCNC3)C2=O)cc1
InChIInChI=1S/C17H22N2O3/c1-22-14-5-3-13(4-6-14)11-19-15(20)7-9-17(16(19)21)8-2-10-18-12-17/h3-6,18H,2,7-12H2,1H3
InChIKeyFCEZJDHBOIUVCC-UHFFFAOYSA-N
MW302.37 g/mol
LogP1.71
Rot. Bonds3

About 2-[(4-methoxyphenyl)methyl]-2,8-diazaspiro[5.5]undecane-1,3-dione

2-[(4-methoxyphenyl)methyl]-2,8-diazaspiro[5.5]undecane-1,3-dione (PubChem CID 146160230) has the molecular formula C17H22N2O3 and a molecular weight of 302.37 g/mol. Its IUPAC name is 2-[(4-methoxyphenyl)methyl]-2,8-diazaspiro[5.5]undecane-1,3-dione.

Molecular Properties

Compound Name2-[(4-methoxyphenyl)methyl]-2,8-diazaspiro[5.5]undecane-1,3-dione
PubChem CID146160230
Molecular FormulaC17H22N2O3
Molecular Weight302.37 g/mol
Exact Mass302.16
IUPAC Name2-[(4-methoxyphenyl)methyl]-2,8-diazaspiro[5.5]undecane-1,3-dione
SMILESCOc1ccc(CN2C(=O)CCC3(CCCNC3)C2=O)cc1
InChIInChI=1S/C17H22N2O3/c1-22-14-5-3-13(4-6-14)11-19-15(20)7-9-17(16(19)21)8-2-10-18-12-17/h3-6,18H,2,7-12H2,1H3
InChIKeyFCEZJDHBOIUVCC-UHFFFAOYSA-N
XLogP1.71
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxyphenyl)methyl]-2,8-diazaspiro[5.5]undecane-1,3-dione?
The IUPAC name of 2-[(4-methoxyphenyl)methyl]-2,8-diazaspiro[5.5]undecane-1,3-dione (CID 146160230) is 2-[(4-methoxyphenyl)methyl]-2,8-diazaspiro[5.5]undecane-1,3-dione.
What is the SMILES notation for 2-[(4-methoxyphenyl)methyl]-2,8-diazaspiro[5.5]undecane-1,3-dione?
The canonical SMILES for 2-[(4-methoxyphenyl)methyl]-2,8-diazaspiro[5.5]undecane-1,3-dione is COc1ccc(CN2C(=O)CCC3(CCCNC3)C2=O)cc1.
What is the InChIKey of 2-[(4-methoxyphenyl)methyl]-2,8-diazaspiro[5.5]undecane-1,3-dione?
The InChIKey is FCEZJDHBOIUVCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3/c1-22-14-5-3-13(4-6-14)11-19-15(20)7-9-17(16(19)21)8-2-10-18-12-17/h3-6,18H,2,7-12H2,1H3.
What are the key properties of 2-[(4-methoxyphenyl)methyl]-2,8-diazaspiro[5.5]undecane-1,3-dione?
2-[(4-methoxyphenyl)methyl]-2,8-diazaspiro[5.5]undecane-1,3-dione has a molecular weight of 302.37 g/mol, XLogP of 1.71, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxyphenyl)methyl]-2,8-diazaspiro[5.5]undecane-1,3-dione is sourced from PubChem (CID 146160230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).