3-(2-methoxyphenyl)-7-methyl-1,3-diazaspiro[4.5]decane-2,4-dione

C16H20N2O3 — CID 61293927

IUPAC3-(2-methoxyphenyl)-7-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESCOc1ccccc1N1C(=O)NC2(CCCC(C)C2)C1=O
InChIInChI=1S/C16H20N2O3/c1-11-6-5-9-16(10-11)14(19)18(15(20)17-16)12-7-3-4-8-13(12)21-2/h3-4,7-8,11H,5-6,9-10H2,1-2H3,(H,17,20)
InChIKeyAHUIEPVECBTLHK-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.70
Rot. Bonds2

About 3-(2-methoxyphenyl)-7-methyl-1,3-diazaspiro[4.5]decane-2,4-dione

3-(2-methoxyphenyl)-7-methyl-1,3-diazaspiro[4.5]decane-2,4-dione (PubChem CID 61293927) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is 3-(2-methoxyphenyl)-7-methyl-1,3-diazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name3-(2-methoxyphenyl)-7-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
PubChem CID61293927
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name3-(2-methoxyphenyl)-7-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESCOc1ccccc1N1C(=O)NC2(CCCC(C)C2)C1=O
InChIInChI=1S/C16H20N2O3/c1-11-6-5-9-16(10-11)14(19)18(15(20)17-16)12-7-3-4-8-13(12)21-2/h3-4,7-8,11H,5-6,9-10H2,1-2H3,(H,17,20)
InChIKeyAHUIEPVECBTLHK-UHFFFAOYSA-N
XLogP2.70
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.70
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-(2-methoxyphenyl)-7-methyl-1,3-diazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 3-(2-methoxyphenyl)-7-methyl-1,3-diazaspiro[4.5]decane-2,4-dione (CID 61293927) is 3-(2-methoxyphenyl)-7-methyl-1,3-diazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 3-(2-methoxyphenyl)-7-methyl-1,3-diazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 3-(2-methoxyphenyl)-7-methyl-1,3-diazaspiro[4.5]decane-2,4-dione is COc1ccccc1N1C(=O)NC2(CCCC(C)C2)C1=O.
What is the InChIKey of 3-(2-methoxyphenyl)-7-methyl-1,3-diazaspiro[4.5]decane-2,4-dione?
The InChIKey is AHUIEPVECBTLHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-11-6-5-9-16(10-11)14(19)18(15(20)17-16)12-7-3-4-8-13(12)21-2/h3-4,7-8,11H,5-6,9-10H2,1-2H3,(H,17,20).
What are the key properties of 3-(2-methoxyphenyl)-7-methyl-1,3-diazaspiro[4.5]decane-2,4-dione?
3-(2-methoxyphenyl)-7-methyl-1,3-diazaspiro[4.5]decane-2,4-dione has a molecular weight of 288.35 g/mol, XLogP of 2.70, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyphenyl)-7-methyl-1,3-diazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 61293927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).