2-(3-methoxyphenyl)-2,9-diazaspiro[4.5]decane-1,3-dione

C15H18N2O3 — CID 118741544

IUPAC2-(3-methoxyphenyl)-2,9-diazaspiro[4.5]decane-1,3-dione
SMILESCOc1cccc(N2C(=O)CC3(CCCNC3)C2=O)c1
InChIInChI=1S/C15H18N2O3/c1-20-12-5-2-4-11(8-12)17-13(18)9-15(14(17)19)6-3-7-16-10-15/h2,4-5,8,16H,3,6-7,9-10H2,1H3
InChIKeyDDQJYYZSGPDURU-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.33
Rot. Bonds2

About 2-(3-methoxyphenyl)-2,9-diazaspiro[4.5]decane-1,3-dione

2-(3-methoxyphenyl)-2,9-diazaspiro[4.5]decane-1,3-dione (PubChem CID 118741544) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)-2,9-diazaspiro[4.5]decane-1,3-dione.

Molecular Properties

Compound Name2-(3-methoxyphenyl)-2,9-diazaspiro[4.5]decane-1,3-dione
PubChem CID118741544
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name2-(3-methoxyphenyl)-2,9-diazaspiro[4.5]decane-1,3-dione
SMILESCOc1cccc(N2C(=O)CC3(CCCNC3)C2=O)c1
InChIInChI=1S/C15H18N2O3/c1-20-12-5-2-4-11(8-12)17-13(18)9-15(14(17)19)6-3-7-16-10-15/h2,4-5,8,16H,3,6-7,9-10H2,1H3
InChIKeyDDQJYYZSGPDURU-UHFFFAOYSA-N
XLogP1.33
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.33
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-(3-methoxyphenyl)-2,9-diazaspiro[4.5]decane-1,3-dione?
The IUPAC name of 2-(3-methoxyphenyl)-2,9-diazaspiro[4.5]decane-1,3-dione (CID 118741544) is 2-(3-methoxyphenyl)-2,9-diazaspiro[4.5]decane-1,3-dione.
What is the SMILES notation for 2-(3-methoxyphenyl)-2,9-diazaspiro[4.5]decane-1,3-dione?
The canonical SMILES for 2-(3-methoxyphenyl)-2,9-diazaspiro[4.5]decane-1,3-dione is COc1cccc(N2C(=O)CC3(CCCNC3)C2=O)c1.
What is the InChIKey of 2-(3-methoxyphenyl)-2,9-diazaspiro[4.5]decane-1,3-dione?
The InChIKey is DDQJYYZSGPDURU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-20-12-5-2-4-11(8-12)17-13(18)9-15(14(17)19)6-3-7-16-10-15/h2,4-5,8,16H,3,6-7,9-10H2,1H3.
What are the key properties of 2-(3-methoxyphenyl)-2,9-diazaspiro[4.5]decane-1,3-dione?
2-(3-methoxyphenyl)-2,9-diazaspiro[4.5]decane-1,3-dione has a molecular weight of 274.32 g/mol, XLogP of 1.33, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenyl)-2,9-diazaspiro[4.5]decane-1,3-dione is sourced from PubChem (CID 118741544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).