methane;3-(4,4,5,5,6,6,7,7-octamethyl-2-methylideneoctyl)-1-[2-(2-phenyl-1,3-oxazolidin-3-yl)ethyl]pyrrolidine-2,5-dione

C34H58N2O3 — CID 145498493

IUPACmethane;3-(4,4,5,5,6,6,7,7-octamethyl-2-methylideneoctyl)-1-[2-(2-phenyl-1,3-oxazolidin-3-yl)ethyl]pyrrolidine-2,5-dione
SMILESC.C.C=C(CC1CC(=O)N(CCN2CCOC2c2ccccc2)C1=O)CC(C)(C)C(C)(C)C(C)(C)C(C)(C)C
InChIInChI=1S/C32H50N2O3.2CH4/c1-23(22-30(5,6)32(9,10)31(7,8)29(2,3)4)20-25-21-26(35)34(27(25)36)17-16-33-18-19-37-28(33)24-14-12-11-13-15-24;;/h11-15,25,28H,1,16-22H2,2-10H3;2*1H4
InChIKeyPTKIMZKYSYWBIS-UHFFFAOYSA-N
MW542.85 g/mol
LogP8.13
Rot. Bonds10

About methane;3-(4,4,5,5,6,6,7,7-octamethyl-2-methylideneoctyl)-1-[2-(2-phenyl-1,3-oxazolidin-3-yl)ethyl]pyrrolidine-2,5-dione

methane;3-(4,4,5,5,6,6,7,7-octamethyl-2-methylideneoctyl)-1-[2-(2-phenyl-1,3-oxazolidin-3-yl)ethyl]pyrrolidine-2,5-dione (PubChem CID 145498493) has the molecular formula C34H58N2O3 and a molecular weight of 542.85 g/mol. Its IUPAC name is methane;3-(4,4,5,5,6,6,7,7-octamethyl-2-methylideneoctyl)-1-[2-(2-phenyl-1,3-oxazolidin-3-yl)ethyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Namemethane;3-(4,4,5,5,6,6,7,7-octamethyl-2-methylideneoctyl)-1-[2-(2-phenyl-1,3-oxazolidin-3-yl)ethyl]pyrrolidine-2,5-dione
PubChem CID145498493
Molecular FormulaC34H58N2O3
Molecular Weight542.85 g/mol
Exact Mass542.44
IUPAC Namemethane;3-(4,4,5,5,6,6,7,7-octamethyl-2-methylideneoctyl)-1-[2-(2-phenyl-1,3-oxazolidin-3-yl)ethyl]pyrrolidine-2,5-dione
SMILESC.C.C=C(CC1CC(=O)N(CCN2CCOC2c2ccccc2)C1=O)CC(C)(C)C(C)(C)C(C)(C)C(C)(C)C
InChIInChI=1S/C32H50N2O3.2CH4/c1-23(22-30(5,6)32(9,10)31(7,8)29(2,3)4)20-25-21-26(35)34(27(25)36)17-16-33-18-19-37-28(33)24-14-12-11-13-15-24;;/h11-15,25,28H,1,16-22H2,2-10H3;2*1H4
InChIKeyPTKIMZKYSYWBIS-UHFFFAOYSA-N
XLogP8.13
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500542.85
LogP ≤ 58.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze methane;3-(4,4,5,5,6,6,7,7-octamethyl-2-methylideneoctyl)-1-[2-(2-phenyl-1,3-oxazolidin-3-yl)ethyl]pyrrolidine-2,5-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methane;3-(4,4,5,5,6,6,7,7-octamethyl-2-methylideneoctyl)-1-[2-(2-phenyl-1,3-oxazolidin-3-yl)ethyl]pyrrolidine-2,5-dione?
The IUPAC name of methane;3-(4,4,5,5,6,6,7,7-octamethyl-2-methylideneoctyl)-1-[2-(2-phenyl-1,3-oxazolidin-3-yl)ethyl]pyrrolidine-2,5-dione (CID 145498493) is methane;3-(4,4,5,5,6,6,7,7-octamethyl-2-methylideneoctyl)-1-[2-(2-phenyl-1,3-oxazolidin-3-yl)ethyl]pyrrolidine-2,5-dione.
What is the SMILES notation for methane;3-(4,4,5,5,6,6,7,7-octamethyl-2-methylideneoctyl)-1-[2-(2-phenyl-1,3-oxazolidin-3-yl)ethyl]pyrrolidine-2,5-dione?
The canonical SMILES for methane;3-(4,4,5,5,6,6,7,7-octamethyl-2-methylideneoctyl)-1-[2-(2-phenyl-1,3-oxazolidin-3-yl)ethyl]pyrrolidine-2,5-dione is C.C.C=C(CC1CC(=O)N(CCN2CCOC2c2ccccc2)C1=O)CC(C)(C)C(C)(C)C(C)(C)C(C)(C)C.
What is the InChIKey of methane;3-(4,4,5,5,6,6,7,7-octamethyl-2-methylideneoctyl)-1-[2-(2-phenyl-1,3-oxazolidin-3-yl)ethyl]pyrrolidine-2,5-dione?
The InChIKey is PTKIMZKYSYWBIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H50N2O3.2CH4/c1-23(22-30(5,6)32(9,10)31(7,8)29(2,3)4)20-25-21-26(35)34(27(25)36)17-16-33-18-19-37-28(33)24-14-12-11-13-15-24;;/h11-15,25,28H,1,16-22H2,2-10H3;2*1H4.
What are the key properties of methane;3-(4,4,5,5,6,6,7,7-octamethyl-2-methylideneoctyl)-1-[2-(2-phenyl-1,3-oxazolidin-3-yl)ethyl]pyrrolidine-2,5-dione?
methane;3-(4,4,5,5,6,6,7,7-octamethyl-2-methylideneoctyl)-1-[2-(2-phenyl-1,3-oxazolidin-3-yl)ethyl]pyrrolidine-2,5-dione has a molecular weight of 542.85 g/mol, XLogP of 8.13, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methane;3-(4,4,5,5,6,6,7,7-octamethyl-2-methylideneoctyl)-1-[2-(2-phenyl-1,3-oxazolidin-3-yl)ethyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 145498493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).