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

C17H22N2O3 — CID 9208526

IUPAC3-[(3-methoxyphenyl)methyl]-1,3-diazaspiro[4.6]undecane-2,4-dione
SMILESCOc1cccc(CN2C(=O)NC3(CCCCCC3)C2=O)c1
InChIInChI=1S/C17H22N2O3/c1-22-14-8-6-7-13(11-14)12-19-15(20)17(18-16(19)21)9-4-2-3-5-10-17/h6-8,11H,2-5,9-10,12H2,1H3,(H,18,21)
InChIKeyDSMMGYYAWUZURE-UHFFFAOYSA-N
MW302.37 g/mol
LogP2.84
Rot. Bonds3

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

3-[(3-methoxyphenyl)methyl]-1,3-diazaspiro[4.6]undecane-2,4-dione (PubChem CID 9208526) has the molecular formula C17H22N2O3 and a molecular weight of 302.37 g/mol. Its IUPAC name is 3-[(3-methoxyphenyl)methyl]-1,3-diazaspiro[4.6]undecane-2,4-dione.

Molecular Properties

Compound Name3-[(3-methoxyphenyl)methyl]-1,3-diazaspiro[4.6]undecane-2,4-dione
PubChem CID9208526
Molecular FormulaC17H22N2O3
Molecular Weight302.37 g/mol
Exact Mass302.16
IUPAC Name3-[(3-methoxyphenyl)methyl]-1,3-diazaspiro[4.6]undecane-2,4-dione
SMILESCOc1cccc(CN2C(=O)NC3(CCCCCC3)C2=O)c1
InChIInChI=1S/C17H22N2O3/c1-22-14-8-6-7-13(11-14)12-19-15(20)17(18-16(19)21)9-4-2-3-5-10-17/h6-8,11H,2-5,9-10,12H2,1H3,(H,18,21)
InChIKeyDSMMGYYAWUZURE-UHFFFAOYSA-N
XLogP2.84
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-[(3-methoxyphenyl)methyl]-1,3-diazaspiro[4.6]undecane-2,4-dione?
The IUPAC name of 3-[(3-methoxyphenyl)methyl]-1,3-diazaspiro[4.6]undecane-2,4-dione (CID 9208526) is 3-[(3-methoxyphenyl)methyl]-1,3-diazaspiro[4.6]undecane-2,4-dione.
What is the SMILES notation for 3-[(3-methoxyphenyl)methyl]-1,3-diazaspiro[4.6]undecane-2,4-dione?
The canonical SMILES for 3-[(3-methoxyphenyl)methyl]-1,3-diazaspiro[4.6]undecane-2,4-dione is COc1cccc(CN2C(=O)NC3(CCCCCC3)C2=O)c1.
What is the InChIKey of 3-[(3-methoxyphenyl)methyl]-1,3-diazaspiro[4.6]undecane-2,4-dione?
The InChIKey is DSMMGYYAWUZURE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3/c1-22-14-8-6-7-13(11-14)12-19-15(20)17(18-16(19)21)9-4-2-3-5-10-17/h6-8,11H,2-5,9-10,12H2,1H3,(H,18,21).
What are the key properties of 3-[(3-methoxyphenyl)methyl]-1,3-diazaspiro[4.6]undecane-2,4-dione?
3-[(3-methoxyphenyl)methyl]-1,3-diazaspiro[4.6]undecane-2,4-dione has a molecular weight of 302.37 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-methoxyphenyl)methyl]-1,3-diazaspiro[4.6]undecane-2,4-dione is sourced from PubChem (CID 9208526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).