3-[5-(4-chlorophenyl)-2-methylphenyl]-7-(methoxymethyl)-1-azaspiro[4.5]decane-2,4-dione

C24H26ClNO3 — CID 123284062

IUPAC3-[5-(4-chlorophenyl)-2-methylphenyl]-7-(methoxymethyl)-1-azaspiro[4.5]decane-2,4-dione
SMILESCOCC1CCCC2(C1)NC(=O)C(c1cc(-c3ccc(Cl)cc3)ccc1C)C2=O
InChIInChI=1S/C24H26ClNO3/c1-15-5-6-18(17-7-9-19(25)10-8-17)12-20(15)21-22(27)24(26-23(21)28)11-3-4-16(13-24)14-29-2/h5-10,12,16,21H,3-4,11,13-14H2,1-2H3,(H,26,28)
InChIKeyFARSNCSEKUKZJZ-UHFFFAOYSA-N
MW411.93 g/mol
LogP4.67
Rot. Bonds4

About 3-[5-(4-chlorophenyl)-2-methylphenyl]-7-(methoxymethyl)-1-azaspiro[4.5]decane-2,4-dione

3-[5-(4-chlorophenyl)-2-methylphenyl]-7-(methoxymethyl)-1-azaspiro[4.5]decane-2,4-dione (PubChem CID 123284062) has the molecular formula C24H26ClNO3 and a molecular weight of 411.93 g/mol. Its IUPAC name is 3-[5-(4-chlorophenyl)-2-methylphenyl]-7-(methoxymethyl)-1-azaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name3-[5-(4-chlorophenyl)-2-methylphenyl]-7-(methoxymethyl)-1-azaspiro[4.5]decane-2,4-dione
PubChem CID123284062
Molecular FormulaC24H26ClNO3
Molecular Weight411.93 g/mol
Exact Mass411.16
IUPAC Name3-[5-(4-chlorophenyl)-2-methylphenyl]-7-(methoxymethyl)-1-azaspiro[4.5]decane-2,4-dione
SMILESCOCC1CCCC2(C1)NC(=O)C(c1cc(-c3ccc(Cl)cc3)ccc1C)C2=O
InChIInChI=1S/C24H26ClNO3/c1-15-5-6-18(17-7-9-19(25)10-8-17)12-20(15)21-22(27)24(26-23(21)28)11-3-4-16(13-24)14-29-2/h5-10,12,16,21H,3-4,11,13-14H2,1-2H3,(H,26,28)
InChIKeyFARSNCSEKUKZJZ-UHFFFAOYSA-N
XLogP4.67
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.93
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[5-(4-chlorophenyl)-2-methylphenyl]-6,6-dimethylpiperidine-2,4-dione
CID 123475658
3-[2-chloro-5-(3,4-difluorophenyl)phenyl]-8-methoxy-1-azaspiro[4.5]decane-2,4-dione
CID 77242693
2-[2-chloro-5-(4-chlorophenyl)phenyl]-11-methyl-9,12-dioxa-4-azadispiro[4.2.48.25]tetradecane-1,3-dione
CID 123689759
(2R,6S)-4-[5-(4-chlorophenyl)-2-methylphenyl]tricyclo[5.2.2.02,6]undecane-3,5-dione
CID 123678538
3-[5-(4-chlorophenyl)-2-methylphenyl]-4a-methyl-6,7,8,8a-tetrahydro-5H-chromene-2,4-dione
CID 90697503
3-[4-(4-chlorophenyl)-2,6-dimethylphenyl]-5-(methoxymethyl)-5-methylpyrrolidine-2,4-dione
CID 67493809
3-[3-(4-chlorophenyl)-2,6-dimethylphenyl]-8-methyl-1-azaspiro[4.5]decane-2,4-dione
CID 91213569
3-[5-(4-chlorophenyl)-4-fluoro-2-methylphenyl]-8-hydroxy-8-(trifluoromethyl)-1-azaspiro[4.5]decane-2,4-dione
CID 123302144
4-[5-(4-chlorophenyl)-2-methylphenyl]-2,2-dimethyloxane-3,5-dione
CID 67072682
3-[5-(4-chlorophenyl)-2-methylphenyl]-1,9-dioxaspiro[4.5]decane-2,4-dione
CID 53357091
3-(2-chloro-4-methoxyphenyl)-1-azaspiro[4.5]decane-2,4-dione
CID 22327495
3-(2,4-dichloro-6-methylphenyl)-8-methoxy-1-azaspiro[4.4]nonane-2,4-dione
CID 67439161

Frequently Asked Questions

What is the IUPAC name of 3-[5-(4-chlorophenyl)-2-methylphenyl]-7-(methoxymethyl)-1-azaspiro[4.5]decane-2,4-dione?
The IUPAC name of 3-[5-(4-chlorophenyl)-2-methylphenyl]-7-(methoxymethyl)-1-azaspiro[4.5]decane-2,4-dione (CID 123284062) is 3-[5-(4-chlorophenyl)-2-methylphenyl]-7-(methoxymethyl)-1-azaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 3-[5-(4-chlorophenyl)-2-methylphenyl]-7-(methoxymethyl)-1-azaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 3-[5-(4-chlorophenyl)-2-methylphenyl]-7-(methoxymethyl)-1-azaspiro[4.5]decane-2,4-dione is COCC1CCCC2(C1)NC(=O)C(c1cc(-c3ccc(Cl)cc3)ccc1C)C2=O.
What is the InChIKey of 3-[5-(4-chlorophenyl)-2-methylphenyl]-7-(methoxymethyl)-1-azaspiro[4.5]decane-2,4-dione?
The InChIKey is FARSNCSEKUKZJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26ClNO3/c1-15-5-6-18(17-7-9-19(25)10-8-17)12-20(15)21-22(27)24(26-23(21)28)11-3-4-16(13-24)14-29-2/h5-10,12,16,21H,3-4,11,13-14H2,1-2H3,(H,26,28).
What are the key properties of 3-[5-(4-chlorophenyl)-2-methylphenyl]-7-(methoxymethyl)-1-azaspiro[4.5]decane-2,4-dione?
3-[5-(4-chlorophenyl)-2-methylphenyl]-7-(methoxymethyl)-1-azaspiro[4.5]decane-2,4-dione has a molecular weight of 411.93 g/mol, XLogP of 4.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(4-chlorophenyl)-2-methylphenyl]-7-(methoxymethyl)-1-azaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 123284062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).