3-[(3-methoxy-4-methylphenyl)methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione

C16H20N2O3 — CID 100677498

IUPAC3-[(3-methoxy-4-methylphenyl)methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
SMILESCOc1cc(CN2C(=O)NC3(CCCC3)C2=O)ccc1C
InChIInChI=1S/C16H20N2O3/c1-11-5-6-12(9-13(11)21-2)10-18-14(19)16(17-15(18)20)7-3-4-8-16/h5-6,9H,3-4,7-8,10H2,1-2H3,(H,17,20)
InChIKeyRWEXUEBLYJCGRN-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.37
Rot. Bonds3

About 3-[(3-methoxy-4-methylphenyl)methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione

3-[(3-methoxy-4-methylphenyl)methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione (PubChem CID 100677498) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is 3-[(3-methoxy-4-methylphenyl)methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione.

Molecular Properties

Compound Name3-[(3-methoxy-4-methylphenyl)methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
PubChem CID100677498
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name3-[(3-methoxy-4-methylphenyl)methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
SMILESCOc1cc(CN2C(=O)NC3(CCCC3)C2=O)ccc1C
InChIInChI=1S/C16H20N2O3/c1-11-5-6-12(9-13(11)21-2)10-18-14(19)16(17-15(18)20)7-3-4-8-16/h5-6,9H,3-4,7-8,10H2,1-2H3,(H,17,20)
InChIKeyRWEXUEBLYJCGRN-UHFFFAOYSA-N
XLogP2.37
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[(4-methoxyphenyl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 130201562
3-[(4-methylphenyl)methyl]-1,3-diazaspiro[4.7]dodecane-2,4-dione
CID 112774081
3-[(4-methylphenyl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 4810094
3-[(3-amino-5-methoxyphenyl)methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 81146115
3-[(5-bromo-2-methoxyphenyl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 17428005
3-[[4-(hydroxymethyl)phenyl]methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 110005115
3-(1,3-benzodioxol-5-ylmethyl)-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 7277305
3-[(4-bromo-2,5-dimethoxyphenyl)methyl]-1,3-diazaspiro[4.6]undecane-2,4-dione
CID 16605599
3-[(2,5-dimethoxyphenyl)methyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 9401459
3-[(4-methoxyphenyl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione;hydrochloride
CID 68626194
2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(4-hydroxy-3-methoxyphenyl)methyl]acetamide
CID 55638303
3-[(4-phenylphenyl)methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 4825856

Frequently Asked Questions

What is the IUPAC name of 3-[(3-methoxy-4-methylphenyl)methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione?
The IUPAC name of 3-[(3-methoxy-4-methylphenyl)methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione (CID 100677498) is 3-[(3-methoxy-4-methylphenyl)methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione.
What is the SMILES notation for 3-[(3-methoxy-4-methylphenyl)methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione?
The canonical SMILES for 3-[(3-methoxy-4-methylphenyl)methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione is COc1cc(CN2C(=O)NC3(CCCC3)C2=O)ccc1C.
What is the InChIKey of 3-[(3-methoxy-4-methylphenyl)methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione?
The InChIKey is RWEXUEBLYJCGRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-11-5-6-12(9-13(11)21-2)10-18-14(19)16(17-15(18)20)7-3-4-8-16/h5-6,9H,3-4,7-8,10H2,1-2H3,(H,17,20).
What are the key properties of 3-[(3-methoxy-4-methylphenyl)methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione?
3-[(3-methoxy-4-methylphenyl)methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione has a molecular weight of 288.35 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-methoxy-4-methylphenyl)methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione is sourced from PubChem (CID 100677498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).