3-(4-cyclopropyl-2,6-dimethylphenyl)-1,8-diazaspiro[4.5]decane-2,4-dione

C19H24N2O2 — CID 91212908

IUPAC3-(4-cyclopropyl-2,6-dimethylphenyl)-1,8-diazaspiro[4.5]decane-2,4-dione
SMILESCc1cc(C2CC2)cc(C)c1C1C(=O)NC2(CCNCC2)C1=O
InChIInChI=1S/C19H24N2O2/c1-11-9-14(13-3-4-13)10-12(2)15(11)16-17(22)19(21-18(16)23)5-7-20-8-6-19/h9-10,13,16,20H,3-8H2,1-2H3,(H,21,23)
InChIKeyXONNTUIHCFHJNE-UHFFFAOYSA-N
MW312.41 g/mol
LogP2.09
Rot. Bonds2

About 3-(4-cyclopropyl-2,6-dimethylphenyl)-1,8-diazaspiro[4.5]decane-2,4-dione

3-(4-cyclopropyl-2,6-dimethylphenyl)-1,8-diazaspiro[4.5]decane-2,4-dione (PubChem CID 91212908) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is 3-(4-cyclopropyl-2,6-dimethylphenyl)-1,8-diazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name3-(4-cyclopropyl-2,6-dimethylphenyl)-1,8-diazaspiro[4.5]decane-2,4-dione
PubChem CID91212908
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC Name3-(4-cyclopropyl-2,6-dimethylphenyl)-1,8-diazaspiro[4.5]decane-2,4-dione
SMILESCc1cc(C2CC2)cc(C)c1C1C(=O)NC2(CCNCC2)C1=O
InChIInChI=1S/C19H24N2O2/c1-11-9-14(13-3-4-13)10-12(2)15(11)16-17(22)19(21-18(16)23)5-7-20-8-6-19/h9-10,13,16,20H,3-8H2,1-2H3,(H,21,23)
InChIKeyXONNTUIHCFHJNE-UHFFFAOYSA-N
XLogP2.09
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

3-(4-cyclopropyl-2,6-dimethylphenyl)-5,5-dimethylpyrrolidine-2,4-dione
CID 67403997
3-(5-bromo-2,4-dimethylphenyl)-1,8-diazaspiro[4.5]decane-2,4-dione
CID 70891070
3-(4-bromo-2,6-dimethylphenyl)-8-methoxy-1,8-diazaspiro[4.5]decane-2,4-dione
CID 58031200
8-[(E)-prop-1-enoxy]-3-(2,4,6-trimethylphenyl)-1-azaspiro[4.5]decane-2,4-dione
CID 141228401
3-(2,6-diethyl-4-methylphenyl)-8-(hydroxymethyl)-1-azaspiro[4.5]decane-2,4-dione
CID 90786668
8-acetyl-3-(2,6-dimethyl-4-prop-1-ynylphenyl)-1,8-diazaspiro[4.5]decane-2,4-dione
CID 155577244
3-(3-bromo-2,6-dimethylphenyl)-1-azaspiro[4.5]decane-2,4-dione
CID 90735471
3-(2,4-dichloro-6-methylphenyl)-8-methoxy-1-azaspiro[4.4]nonane-2,4-dione
CID 67439161
3-[3-(4-chlorophenyl)-2,6-dimethylphenyl]-8-methyl-1-azaspiro[4.5]decane-2,4-dione
CID 91213569
3-(2,4-dichloro-6-methylphenyl)-8-ethoxy-8-methyl-1-azaspiro[4.5]decane-2,4-dione
CID 90688550
3-(2-chloro-4,6-dimethylphenyl)-7-methyl-8-oxa-1-azaspiro[4.5]decane-2,4-dione
CID 91132647
5-cyclopropyl-3-methyl-1H-pyridin-2-one
CID 83131325

Frequently Asked Questions

What is the IUPAC name of 3-(4-cyclopropyl-2,6-dimethylphenyl)-1,8-diazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 3-(4-cyclopropyl-2,6-dimethylphenyl)-1,8-diazaspiro[4.5]decane-2,4-dione (CID 91212908) is 3-(4-cyclopropyl-2,6-dimethylphenyl)-1,8-diazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 3-(4-cyclopropyl-2,6-dimethylphenyl)-1,8-diazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 3-(4-cyclopropyl-2,6-dimethylphenyl)-1,8-diazaspiro[4.5]decane-2,4-dione is Cc1cc(C2CC2)cc(C)c1C1C(=O)NC2(CCNCC2)C1=O.
What is the InChIKey of 3-(4-cyclopropyl-2,6-dimethylphenyl)-1,8-diazaspiro[4.5]decane-2,4-dione?
The InChIKey is XONNTUIHCFHJNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2/c1-11-9-14(13-3-4-13)10-12(2)15(11)16-17(22)19(21-18(16)23)5-7-20-8-6-19/h9-10,13,16,20H,3-8H2,1-2H3,(H,21,23).
What are the key properties of 3-(4-cyclopropyl-2,6-dimethylphenyl)-1,8-diazaspiro[4.5]decane-2,4-dione?
3-(4-cyclopropyl-2,6-dimethylphenyl)-1,8-diazaspiro[4.5]decane-2,4-dione has a molecular weight of 312.41 g/mol, XLogP of 2.09, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-cyclopropyl-2,6-dimethylphenyl)-1,8-diazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 91212908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).