2,3-dimethyl-6-(3-methylphenyl)-2,8-diazaspiro[4.5]decane-7,9-dione

C17H22N2O2 — CID 81472867

IUPAC2,3-dimethyl-6-(3-methylphenyl)-2,8-diazaspiro[4.5]decane-7,9-dione
SMILESCc1cccc(C2C(=O)NC(=O)CC23CC(C)N(C)C3)c1
InChIInChI=1S/C17H22N2O2/c1-11-5-4-6-13(7-11)15-16(21)18-14(20)9-17(15)8-12(2)19(3)10-17/h4-7,12,15H,8-10H2,1-3H3,(H,18,20,21)
InChIKeyVAFQXSLVTISNNI-UHFFFAOYSA-N
MW286.38 g/mol
LogP1.84
Rot. Bonds1

About 2,3-dimethyl-6-(3-methylphenyl)-2,8-diazaspiro[4.5]decane-7,9-dione

2,3-dimethyl-6-(3-methylphenyl)-2,8-diazaspiro[4.5]decane-7,9-dione (PubChem CID 81472867) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is 2,3-dimethyl-6-(3-methylphenyl)-2,8-diazaspiro[4.5]decane-7,9-dione.

Molecular Properties

Compound Name2,3-dimethyl-6-(3-methylphenyl)-2,8-diazaspiro[4.5]decane-7,9-dione
PubChem CID81472867
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Name2,3-dimethyl-6-(3-methylphenyl)-2,8-diazaspiro[4.5]decane-7,9-dione
SMILESCc1cccc(C2C(=O)NC(=O)CC23CC(C)N(C)C3)c1
InChIInChI=1S/C17H22N2O2/c1-11-5-4-6-13(7-11)15-16(21)18-14(20)9-17(15)8-12(2)19(3)10-17/h4-7,12,15H,8-10H2,1-3H3,(H,18,20,21)
InChIKeyVAFQXSLVTISNNI-UHFFFAOYSA-N
XLogP1.84
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-dimethyl-6-(3-methylphenyl)-2,8-diazaspiro[4.5]decane-7,9-dione?
The IUPAC name of 2,3-dimethyl-6-(3-methylphenyl)-2,8-diazaspiro[4.5]decane-7,9-dione (CID 81472867) is 2,3-dimethyl-6-(3-methylphenyl)-2,8-diazaspiro[4.5]decane-7,9-dione.
What is the SMILES notation for 2,3-dimethyl-6-(3-methylphenyl)-2,8-diazaspiro[4.5]decane-7,9-dione?
The canonical SMILES for 2,3-dimethyl-6-(3-methylphenyl)-2,8-diazaspiro[4.5]decane-7,9-dione is Cc1cccc(C2C(=O)NC(=O)CC23CC(C)N(C)C3)c1.
What is the InChIKey of 2,3-dimethyl-6-(3-methylphenyl)-2,8-diazaspiro[4.5]decane-7,9-dione?
The InChIKey is VAFQXSLVTISNNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-11-5-4-6-13(7-11)15-16(21)18-14(20)9-17(15)8-12(2)19(3)10-17/h4-7,12,15H,8-10H2,1-3H3,(H,18,20,21).
What are the key properties of 2,3-dimethyl-6-(3-methylphenyl)-2,8-diazaspiro[4.5]decane-7,9-dione?
2,3-dimethyl-6-(3-methylphenyl)-2,8-diazaspiro[4.5]decane-7,9-dione has a molecular weight of 286.38 g/mol, XLogP of 1.84, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-6-(3-methylphenyl)-2,8-diazaspiro[4.5]decane-7,9-dione is sourced from PubChem (CID 81472867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).