1-ethyl-6,6-dimethyl-2-phenyl-4,8-bis(2,4,6-trimethylphenyl)-4,8-diazaspiro[2.5]oct-1-ene-5,7-dione

C34H38N2O2 — CID 57407509

IUPAC1-ethyl-6,6-dimethyl-2-phenyl-4,8-bis(2,4,6-trimethylphenyl)-4,8-diazaspiro[2.5]oct-1-ene-5,7-dione
SMILESCCC1=C(c2ccccc2)C12N(c1c(C)cc(C)cc1C)C(=O)C(C)(C)C(=O)N2c1c(C)cc(C)cc1C
InChIInChI=1S/C34H38N2O2/c1-10-27-28(26-14-12-11-13-15-26)34(27)35(29-22(4)16-20(2)17-23(29)5)31(37)33(8,9)32(38)36(34)30-24(6)18-21(3)19-25(30)7/h11-19H,10H2,1-9H3
InChIKeyRAJWIWSGDWVMBX-UHFFFAOYSA-N
MW506.69 g/mol
LogP7.52
Rot. Bonds4

About 1-ethyl-6,6-dimethyl-2-phenyl-4,8-bis(2,4,6-trimethylphenyl)-4,8-diazaspiro[2.5]oct-1-ene-5,7-dione

1-ethyl-6,6-dimethyl-2-phenyl-4,8-bis(2,4,6-trimethylphenyl)-4,8-diazaspiro[2.5]oct-1-ene-5,7-dione (PubChem CID 57407509) has the molecular formula C34H38N2O2 and a molecular weight of 506.69 g/mol. Its IUPAC name is 1-ethyl-6,6-dimethyl-2-phenyl-4,8-bis(2,4,6-trimethylphenyl)-4,8-diazaspiro[2.5]oct-1-ene-5,7-dione.

Molecular Properties

Compound Name1-ethyl-6,6-dimethyl-2-phenyl-4,8-bis(2,4,6-trimethylphenyl)-4,8-diazaspiro[2.5]oct-1-ene-5,7-dione
PubChem CID57407509
Molecular FormulaC34H38N2O2
Molecular Weight506.69 g/mol
Exact Mass506.29
IUPAC Name1-ethyl-6,6-dimethyl-2-phenyl-4,8-bis(2,4,6-trimethylphenyl)-4,8-diazaspiro[2.5]oct-1-ene-5,7-dione
SMILESCCC1=C(c2ccccc2)C12N(c1c(C)cc(C)cc1C)C(=O)C(C)(C)C(=O)N2c1c(C)cc(C)cc1C
InChIInChI=1S/C34H38N2O2/c1-10-27-28(26-14-12-11-13-15-26)34(27)35(29-22(4)16-20(2)17-23(29)5)31(37)33(8,9)32(38)36(34)30-24(6)18-21(3)19-25(30)7/h11-19H,10H2,1-9H3
InChIKeyRAJWIWSGDWVMBX-UHFFFAOYSA-N
XLogP7.52
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.69
LogP ≤ 57.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1S,2R,6R,7R)-1,7-diethyl-8,9-diphenyl-4-(2,4,6-trimethylphenyl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5,10-trione
CID 6577124
2-benzyl-5,5-dimethyl-1,3-bis(2,4,6-trimethylphenyl)-1,3-diazinane-4,6-dione
CID 102224555
2,6,6-trimethyl-5,7-dioxo-4,8-bis(2,4,6-trimethylphenyl)-4,8-diazaspiro[2.5]octane-2-carbonitrile
CID 56588003
4,4-dimethyl-2,3-diphenylcyclobut-2-en-1-one
CID 13382755
(2'R,4'S)-5,5-dimethyl-1,3-bis(2,4,6-trimethylphenyl)spiro[1,3-diazinane-2,3'-tricyclo[3.2.1.02,4]octane]-4,6-dione
CID 56588007
2-phenyl-1-(2,4,6-trimethylphenyl)pyrrole
CID 101477910
(1S,2S,6R,7S)-4-(2,4-dimethylphenyl)-1,7,8,9-tetraphenyl-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5,10-trione
CID 98044889
(2R)-6,6-dimethyl-2-(4-nitrophenyl)-4,8-bis(2,4,6-trimethylphenyl)-1-oxa-4,8-diazaspiro[2.5]octane-5,7-dione
CID 139040399
1-(3,5-diphenylphenyl)-3-methyl-5-phenylbenzene
CID 123422549
(3aS,4S,7S,7aS)-4,7-diphenyl-2-(2,4,6-trimethylphenyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 11898113
4,4-dimethyl-2-(4-methylthiophen-2-yl)-3-phenylcyclobut-2-en-1-one
CID 18969749
1,3-dimethyl-5-phenylbenzene;methane
CID 143325792

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-6,6-dimethyl-2-phenyl-4,8-bis(2,4,6-trimethylphenyl)-4,8-diazaspiro[2.5]oct-1-ene-5,7-dione?
The IUPAC name of 1-ethyl-6,6-dimethyl-2-phenyl-4,8-bis(2,4,6-trimethylphenyl)-4,8-diazaspiro[2.5]oct-1-ene-5,7-dione (CID 57407509) is 1-ethyl-6,6-dimethyl-2-phenyl-4,8-bis(2,4,6-trimethylphenyl)-4,8-diazaspiro[2.5]oct-1-ene-5,7-dione.
What is the SMILES notation for 1-ethyl-6,6-dimethyl-2-phenyl-4,8-bis(2,4,6-trimethylphenyl)-4,8-diazaspiro[2.5]oct-1-ene-5,7-dione?
The canonical SMILES for 1-ethyl-6,6-dimethyl-2-phenyl-4,8-bis(2,4,6-trimethylphenyl)-4,8-diazaspiro[2.5]oct-1-ene-5,7-dione is CCC1=C(c2ccccc2)C12N(c1c(C)cc(C)cc1C)C(=O)C(C)(C)C(=O)N2c1c(C)cc(C)cc1C.
What is the InChIKey of 1-ethyl-6,6-dimethyl-2-phenyl-4,8-bis(2,4,6-trimethylphenyl)-4,8-diazaspiro[2.5]oct-1-ene-5,7-dione?
The InChIKey is RAJWIWSGDWVMBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H38N2O2/c1-10-27-28(26-14-12-11-13-15-26)34(27)35(29-22(4)16-20(2)17-23(29)5)31(37)33(8,9)32(38)36(34)30-24(6)18-21(3)19-25(30)7/h11-19H,10H2,1-9H3.
What are the key properties of 1-ethyl-6,6-dimethyl-2-phenyl-4,8-bis(2,4,6-trimethylphenyl)-4,8-diazaspiro[2.5]oct-1-ene-5,7-dione?
1-ethyl-6,6-dimethyl-2-phenyl-4,8-bis(2,4,6-trimethylphenyl)-4,8-diazaspiro[2.5]oct-1-ene-5,7-dione has a molecular weight of 506.69 g/mol, XLogP of 7.52, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-6,6-dimethyl-2-phenyl-4,8-bis(2,4,6-trimethylphenyl)-4,8-diazaspiro[2.5]oct-1-ene-5,7-dione is sourced from PubChem (CID 57407509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).