ethane;6-methyl-2-[4-[(4-methylphenyl)methyl]phenyl]-2,6-diazaspiro[3.3]heptane-1,3,5,7-tetrone

C24H28N2O4 — CID 91184318

IUPACethane;6-methyl-2-[4-[(4-methylphenyl)methyl]phenyl]-2,6-diazaspiro[3.3]heptane-1,3,5,7-tetrone
SMILESCC.CC.Cc1ccc(Cc2ccc(N3C(=O)C4(C(=O)N(C)C4=O)C3=O)cc2)cc1
InChIInChI=1S/C20H16N2O4.2C2H6/c1-12-3-5-13(6-4-12)11-14-7-9-15(10-8-14)22-18(25)20(19(22)26)16(23)21(2)17(20)24;2*1-2/h3-10H,11H2,1-2H3;2*1-2H3
InChIKeyYCSDZSKMYLIRCU-UHFFFAOYSA-N
MW408.50 g/mol
LogP3.50
Rot. Bonds3

About ethane;6-methyl-2-[4-[(4-methylphenyl)methyl]phenyl]-2,6-diazaspiro[3.3]heptane-1,3,5,7-tetrone

ethane;6-methyl-2-[4-[(4-methylphenyl)methyl]phenyl]-2,6-diazaspiro[3.3]heptane-1,3,5,7-tetrone (PubChem CID 91184318) has the molecular formula C24H28N2O4 and a molecular weight of 408.50 g/mol. Its IUPAC name is ethane;6-methyl-2-[4-[(4-methylphenyl)methyl]phenyl]-2,6-diazaspiro[3.3]heptane-1,3,5,7-tetrone.

Molecular Properties

Compound Nameethane;6-methyl-2-[4-[(4-methylphenyl)methyl]phenyl]-2,6-diazaspiro[3.3]heptane-1,3,5,7-tetrone
PubChem CID91184318
Molecular FormulaC24H28N2O4
Molecular Weight408.50 g/mol
Exact Mass408.20
IUPAC Nameethane;6-methyl-2-[4-[(4-methylphenyl)methyl]phenyl]-2,6-diazaspiro[3.3]heptane-1,3,5,7-tetrone
SMILESCC.CC.Cc1ccc(Cc2ccc(N3C(=O)C4(C(=O)N(C)C4=O)C3=O)cc2)cc1
InChIInChI=1S/C20H16N2O4.2C2H6/c1-12-3-5-13(6-4-12)11-14-7-9-15(10-8-14)22-18(25)20(19(22)26)16(23)21(2)17(20)24;2*1-2/h3-10H,11H2,1-2H3;2*1-2H3
InChIKeyYCSDZSKMYLIRCU-UHFFFAOYSA-N
XLogP3.50
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(2,4-dimethylphenyl)-3-methylphenyl]-6-methyl-2,6-diazaspiro[3.3]heptane-1,3,5,7-tetrone
CID 58903483
2-methyl-5-[2-[4-[(4-methylphenyl)methyl]phenyl]-1,3-dioxoisoindol-5-yl]oxyisoindole-1,3-dione
CID 90278436
1,5-dimethyl-3-(4-methylphenyl)-6-oxa-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 117061263
1-methyl-4-[(4-methylphenyl)methyl]benzene;propane;1,4-xylene
CID 161043198
1-[4-[[4-[4-[[4-(2,5-dioxopyrrol-1-yl)phenyl]methyl]phenyl]phenyl]methyl]phenyl]pyrrole-2,5-dione
CID 139363924
3,6-dibenzyl-1,4-bis(4-methylphenyl)pyrrolo[3,2-b]pyrrole-2,5-dione
CID 15309240
methane;1-methyl-4-[(4-methylphenyl)methyl]benzene;propane;1,4-xylene
CID 162237370
1,4,6-trimethyl-9-(4-methylphenyl)-4,9-diazatricyclo[5.3.0.02,6]decane-3,5,8,10-tetrone
CID 67890998
1-methyl-4-[(4-methylphenyl)methyl]benzene;pentafluoro-λ5-phosphane
CID 91507263
1-[(4-ethylphenyl)methyl]-4-[[4-[(4-methylphenyl)methyl]phenyl]methyl]benzene
CID 23525828
1'-methyl-2-(4-methylphenyl)spiro[2-azapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),3(11),4,6,8,15,17,19-octaene-12,3'-indole]-2',10,14-trione
CID 101495322
4-(4-methylphenyl)-1,2,4-triazole-3,5-dione
CID 2760671

Frequently Asked Questions

What is the IUPAC name of ethane;6-methyl-2-[4-[(4-methylphenyl)methyl]phenyl]-2,6-diazaspiro[3.3]heptane-1,3,5,7-tetrone?
The IUPAC name of ethane;6-methyl-2-[4-[(4-methylphenyl)methyl]phenyl]-2,6-diazaspiro[3.3]heptane-1,3,5,7-tetrone (CID 91184318) is ethane;6-methyl-2-[4-[(4-methylphenyl)methyl]phenyl]-2,6-diazaspiro[3.3]heptane-1,3,5,7-tetrone.
What is the SMILES notation for ethane;6-methyl-2-[4-[(4-methylphenyl)methyl]phenyl]-2,6-diazaspiro[3.3]heptane-1,3,5,7-tetrone?
The canonical SMILES for ethane;6-methyl-2-[4-[(4-methylphenyl)methyl]phenyl]-2,6-diazaspiro[3.3]heptane-1,3,5,7-tetrone is CC.CC.Cc1ccc(Cc2ccc(N3C(=O)C4(C(=O)N(C)C4=O)C3=O)cc2)cc1.
What is the InChIKey of ethane;6-methyl-2-[4-[(4-methylphenyl)methyl]phenyl]-2,6-diazaspiro[3.3]heptane-1,3,5,7-tetrone?
The InChIKey is YCSDZSKMYLIRCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O4.2C2H6/c1-12-3-5-13(6-4-12)11-14-7-9-15(10-8-14)22-18(25)20(19(22)26)16(23)21(2)17(20)24;2*1-2/h3-10H,11H2,1-2H3;2*1-2H3.
What are the key properties of ethane;6-methyl-2-[4-[(4-methylphenyl)methyl]phenyl]-2,6-diazaspiro[3.3]heptane-1,3,5,7-tetrone?
ethane;6-methyl-2-[4-[(4-methylphenyl)methyl]phenyl]-2,6-diazaspiro[3.3]heptane-1,3,5,7-tetrone has a molecular weight of 408.50 g/mol, XLogP of 3.50, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;6-methyl-2-[4-[(4-methylphenyl)methyl]phenyl]-2,6-diazaspiro[3.3]heptane-1,3,5,7-tetrone is sourced from PubChem (CID 91184318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).