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

C17H21BrN2O3 — CID 58031200

IUPAC3-(4-bromo-2,6-dimethylphenyl)-8-methoxy-1,8-diazaspiro[4.5]decane-2,4-dione
SMILESCON1CCC2(CC1)NC(=O)C(c1c(C)cc(Br)cc1C)C2=O
InChIInChI=1S/C17H21BrN2O3/c1-10-8-12(18)9-11(2)13(10)14-15(21)17(19-16(14)22)4-6-20(23-3)7-5-17/h8-9,14H,4-7H2,1-3H3,(H,19,22)
InChIKeyPRZIBASJPXZXEN-UHFFFAOYSA-N
MW381.27 g/mol
LogP2.24
Rot. Bonds2

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

3-(4-bromo-2,6-dimethylphenyl)-8-methoxy-1,8-diazaspiro[4.5]decane-2,4-dione (PubChem CID 58031200) has the molecular formula C17H21BrN2O3 and a molecular weight of 381.27 g/mol. Its IUPAC name is 3-(4-bromo-2,6-dimethylphenyl)-8-methoxy-1,8-diazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name3-(4-bromo-2,6-dimethylphenyl)-8-methoxy-1,8-diazaspiro[4.5]decane-2,4-dione
PubChem CID58031200
Molecular FormulaC17H21BrN2O3
Molecular Weight381.27 g/mol
Exact Mass380.07
IUPAC Name3-(4-bromo-2,6-dimethylphenyl)-8-methoxy-1,8-diazaspiro[4.5]decane-2,4-dione
SMILESCON1CCC2(CC1)NC(=O)C(c1c(C)cc(Br)cc1C)C2=O
InChIInChI=1S/C17H21BrN2O3/c1-10-8-12(18)9-11(2)13(10)14-15(21)17(19-16(14)22)4-6-20(23-3)7-5-17/h8-9,14H,4-7H2,1-3H3,(H,19,22)
InChIKeyPRZIBASJPXZXEN-UHFFFAOYSA-N
XLogP2.24
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.27
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(4-bromo-2,6-dimethylphenyl)-8-methoxy-1,8-diazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 3-(4-bromo-2,6-dimethylphenyl)-8-methoxy-1,8-diazaspiro[4.5]decane-2,4-dione (CID 58031200) is 3-(4-bromo-2,6-dimethylphenyl)-8-methoxy-1,8-diazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 3-(4-bromo-2,6-dimethylphenyl)-8-methoxy-1,8-diazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 3-(4-bromo-2,6-dimethylphenyl)-8-methoxy-1,8-diazaspiro[4.5]decane-2,4-dione is CON1CCC2(CC1)NC(=O)C(c1c(C)cc(Br)cc1C)C2=O.
What is the InChIKey of 3-(4-bromo-2,6-dimethylphenyl)-8-methoxy-1,8-diazaspiro[4.5]decane-2,4-dione?
The InChIKey is PRZIBASJPXZXEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21BrN2O3/c1-10-8-12(18)9-11(2)13(10)14-15(21)17(19-16(14)22)4-6-20(23-3)7-5-17/h8-9,14H,4-7H2,1-3H3,(H,19,22).
What are the key properties of 3-(4-bromo-2,6-dimethylphenyl)-8-methoxy-1,8-diazaspiro[4.5]decane-2,4-dione?
3-(4-bromo-2,6-dimethylphenyl)-8-methoxy-1,8-diazaspiro[4.5]decane-2,4-dione has a molecular weight of 381.27 g/mol, XLogP of 2.24, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromo-2,6-dimethylphenyl)-8-methoxy-1,8-diazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 58031200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).