benzylbenzene;1-cyclohexyl-3,4-dimethylpyrrolidine-2,5-dione;ethane

C27H37NO2 — CID 167545184

IUPACbenzylbenzene;1-cyclohexyl-3,4-dimethylpyrrolidine-2,5-dione;ethane
SMILESCC.CC1C(=O)N(C2CCCCC2)C(=O)C1C.c1ccc(Cc2ccccc2)cc1
InChIInChI=1S/C13H12.C12H19NO2.C2H6/c1-3-7-12(8-4-1)11-13-9-5-2-6-10-13;1-8-9(2)12(15)13(11(8)14)10-6-4-3-5-7-10;1-2/h1-10H,11H2;8-10H,3-7H2,1-2H3;1-2H3
InChIKeyBRUXPKATHNTNOV-UHFFFAOYSA-N
MW407.60 g/mol
LogP6.26
Rot. Bonds3

About benzylbenzene;1-cyclohexyl-3,4-dimethylpyrrolidine-2,5-dione;ethane

benzylbenzene;1-cyclohexyl-3,4-dimethylpyrrolidine-2,5-dione;ethane (PubChem CID 167545184) has the molecular formula C27H37NO2 and a molecular weight of 407.60 g/mol. Its IUPAC name is benzylbenzene;1-cyclohexyl-3,4-dimethylpyrrolidine-2,5-dione;ethane.

Molecular Properties

Compound Namebenzylbenzene;1-cyclohexyl-3,4-dimethylpyrrolidine-2,5-dione;ethane
PubChem CID167545184
Molecular FormulaC27H37NO2
Molecular Weight407.60 g/mol
Exact Mass407.28
IUPAC Namebenzylbenzene;1-cyclohexyl-3,4-dimethylpyrrolidine-2,5-dione;ethane
SMILESCC.CC1C(=O)N(C2CCCCC2)C(=O)C1C.c1ccc(Cc2ccccc2)cc1
InChIInChI=1S/C13H12.C12H19NO2.C2H6/c1-3-7-12(8-4-1)11-13-9-5-2-6-10-13;1-8-9(2)12(15)13(11(8)14)10-6-4-3-5-7-10;1-2/h1-10H,11H2;8-10H,3-7H2,1-2H3;1-2H3
InChIKeyBRUXPKATHNTNOV-UHFFFAOYSA-N
XLogP6.26
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.60
LogP ≤ 56.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

(3aS,4S,7S,7aR)-2-cyclohexyl-4,7-diphenyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione
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3-(3,4-dimethyl-2,5-dioxopyrrolidin-1-yl)cyclohexane-1-carboxylic acid
CID 103499629
2-cyclodecylisoindole-1,3-dione
CID 123786237
1-cyclohexyl-5-ethyl-3-phenyl-1,3-diazinane-2,4,6-trione
CID 13968
(3S)-3-benzyl-1-cyclohexylpyrrolidin-2-one
CID 129365070
3-benzyl-1-cyclopentyl-6-methylpiperazine-2,5-dione
CID 64958470
1-benzyl-4-[(4-benzylphenyl)methyl]benzene;1,4-dibenzylbenzene;ethane
CID 158067654
1,4-dibenzylbenzene;ethane
CID 91406396
(3R,4S)-4-benzyl-1-cyclohexyl-3-hydroxyazetidin-2-one
CID 166439426
1-cyclopentyl-3-(3-phenylpropyl)imidazolidine-2,4,5-trione
CID 84602875
1-benzyl-3-cyclohexyl-7-methyl-1,4-diazepane-2,5-dione
CID 64883443
(1R,5S)-8-benzyl-8-azabicyclo[3.2.1]octane
CID 67134573

Frequently Asked Questions

What is the IUPAC name of benzylbenzene;1-cyclohexyl-3,4-dimethylpyrrolidine-2,5-dione;ethane?
The IUPAC name of benzylbenzene;1-cyclohexyl-3,4-dimethylpyrrolidine-2,5-dione;ethane (CID 167545184) is benzylbenzene;1-cyclohexyl-3,4-dimethylpyrrolidine-2,5-dione;ethane.
What is the SMILES notation for benzylbenzene;1-cyclohexyl-3,4-dimethylpyrrolidine-2,5-dione;ethane?
The canonical SMILES for benzylbenzene;1-cyclohexyl-3,4-dimethylpyrrolidine-2,5-dione;ethane is CC.CC1C(=O)N(C2CCCCC2)C(=O)C1C.c1ccc(Cc2ccccc2)cc1.
What is the InChIKey of benzylbenzene;1-cyclohexyl-3,4-dimethylpyrrolidine-2,5-dione;ethane?
The InChIKey is BRUXPKATHNTNOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12.C12H19NO2.C2H6/c1-3-7-12(8-4-1)11-13-9-5-2-6-10-13;1-8-9(2)12(15)13(11(8)14)10-6-4-3-5-7-10;1-2/h1-10H,11H2;8-10H,3-7H2,1-2H3;1-2H3.
What are the key properties of benzylbenzene;1-cyclohexyl-3,4-dimethylpyrrolidine-2,5-dione;ethane?
benzylbenzene;1-cyclohexyl-3,4-dimethylpyrrolidine-2,5-dione;ethane has a molecular weight of 407.60 g/mol, XLogP of 6.26, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzylbenzene;1-cyclohexyl-3,4-dimethylpyrrolidine-2,5-dione;ethane is sourced from PubChem (CID 167545184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).