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

C23H25FN2O3 — CID 123199500

IUPAC3-[3-(4-fluorophenyl)-2,6-dimethylphenyl]-8-methoxy-1,8-diazaspiro[4.5]decane-2,4-dione
SMILESCON1CCC2(CC1)NC(=O)C(c1c(C)ccc(-c3ccc(F)cc3)c1C)C2=O
InChIInChI=1S/C23H25FN2O3/c1-14-4-9-18(16-5-7-17(24)8-6-16)15(2)19(14)20-21(27)23(25-22(20)28)10-12-26(29-3)13-11-23/h4-9,20H,10-13H2,1-3H3,(H,25,28)
InChIKeyRTBOINOJHHJGMF-UHFFFAOYSA-N
MW396.46 g/mol
LogP3.29
Rot. Bonds3

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

3-[3-(4-fluorophenyl)-2,6-dimethylphenyl]-8-methoxy-1,8-diazaspiro[4.5]decane-2,4-dione (PubChem CID 123199500) has the molecular formula C23H25FN2O3 and a molecular weight of 396.46 g/mol. Its IUPAC name is 3-[3-(4-fluorophenyl)-2,6-dimethylphenyl]-8-methoxy-1,8-diazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name3-[3-(4-fluorophenyl)-2,6-dimethylphenyl]-8-methoxy-1,8-diazaspiro[4.5]decane-2,4-dione
PubChem CID123199500
Molecular FormulaC23H25FN2O3
Molecular Weight396.46 g/mol
Exact Mass396.18
IUPAC Name3-[3-(4-fluorophenyl)-2,6-dimethylphenyl]-8-methoxy-1,8-diazaspiro[4.5]decane-2,4-dione
SMILESCON1CCC2(CC1)NC(=O)C(c1c(C)ccc(-c3ccc(F)cc3)c1C)C2=O
InChIInChI=1S/C23H25FN2O3/c1-14-4-9-18(16-5-7-17(24)8-6-16)15(2)19(14)20-21(27)23(25-22(20)28)10-12-26(29-3)13-11-23/h4-9,20H,10-13H2,1-3H3,(H,25,28)
InChIKeyRTBOINOJHHJGMF-UHFFFAOYSA-N
XLogP3.29
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.46
LogP ≤ 53.29
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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Related Compounds

3-[3-(4-chlorophenyl)-2,6-dimethylphenyl]-8-methyl-1-azaspiro[4.5]decane-2,4-dione
CID 91213569
3-(3-bromo-2,6-dimethylphenyl)-1-azaspiro[4.5]decane-2,4-dione
CID 90735471
3-[4-(4-chloro-2-fluorophenyl)phenyl]-4-hydroxy-8-methoxy-1,8-diazaspiro[4.5]dec-3-en-2-one
CID 67389923
8-methoxy-3-(4-methylphenyl)-1-oxa-8-azaspiro[4.5]decane-2,4-dione
CID 91251101
3-[3-(2-chloro-4-fluorophenyl)phenyl]-4-hydroxy-8-methoxy-1,8-diazaspiro[4.5]dec-3-en-2-one
CID 140568160
3-[3-(4-fluorophenyl)-2,6-dimethylphenyl]-8-oxa-1-azaspiro[4.5]decan-4-ol
CID 134550485
8-[(E)-prop-1-enoxy]-3-(2,4,6-trimethylphenyl)-1-azaspiro[4.5]decane-2,4-dione
CID 141228401
3-(4-cyclopropyl-2,6-dimethylphenyl)-1,8-diazaspiro[4.5]decane-2,4-dione
CID 91212908
3-[5-(4-chlorophenyl)-4-fluoro-2-methylphenyl]-8-hydroxy-8-(trifluoromethyl)-1-azaspiro[4.5]decane-2,4-dione
CID 123302144
3-(4-chloro-2-methoxy-6-methylphenyl)-8-methoxy-1-azaspiro[4.5]decane-2,4-dione
CID 91599739
8-acetyl-3-(2,6-dimethyl-4-prop-1-ynylphenyl)-1,8-diazaspiro[4.5]decane-2,4-dione
CID 155577244
3-[2-chloro-5-(3,4-difluorophenyl)phenyl]-8-methoxy-1-azaspiro[4.5]decane-2,4-dione
CID 77242693

Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-fluorophenyl)-2,6-dimethylphenyl]-8-methoxy-1,8-diazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 3-[3-(4-fluorophenyl)-2,6-dimethylphenyl]-8-methoxy-1,8-diazaspiro[4.5]decane-2,4-dione (CID 123199500) is 3-[3-(4-fluorophenyl)-2,6-dimethylphenyl]-8-methoxy-1,8-diazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 3-[3-(4-fluorophenyl)-2,6-dimethylphenyl]-8-methoxy-1,8-diazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 3-[3-(4-fluorophenyl)-2,6-dimethylphenyl]-8-methoxy-1,8-diazaspiro[4.5]decane-2,4-dione is CON1CCC2(CC1)NC(=O)C(c1c(C)ccc(-c3ccc(F)cc3)c1C)C2=O.
What is the InChIKey of 3-[3-(4-fluorophenyl)-2,6-dimethylphenyl]-8-methoxy-1,8-diazaspiro[4.5]decane-2,4-dione?
The InChIKey is RTBOINOJHHJGMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN2O3/c1-14-4-9-18(16-5-7-17(24)8-6-16)15(2)19(14)20-21(27)23(25-22(20)28)10-12-26(29-3)13-11-23/h4-9,20H,10-13H2,1-3H3,(H,25,28).
What are the key properties of 3-[3-(4-fluorophenyl)-2,6-dimethylphenyl]-8-methoxy-1,8-diazaspiro[4.5]decane-2,4-dione?
3-[3-(4-fluorophenyl)-2,6-dimethylphenyl]-8-methoxy-1,8-diazaspiro[4.5]decane-2,4-dione has a molecular weight of 396.46 g/mol, XLogP of 3.29, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-fluorophenyl)-2,6-dimethylphenyl]-8-methoxy-1,8-diazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 123199500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).