1-[3-(dimethylamino)propyl]-3-(4,4,6,6-tetramethyl-2-methylideneheptyl)pyrrolidine-2,5-dione

C21H38N2O2 — CID 58041336

IUPAC1-[3-(dimethylamino)propyl]-3-(4,4,6,6-tetramethyl-2-methylideneheptyl)pyrrolidine-2,5-dione
SMILESC=C(CC1CC(=O)N(CCCN(C)C)C1=O)CC(C)(C)CC(C)(C)C
InChIInChI=1S/C21H38N2O2/c1-16(14-21(5,6)15-20(2,3)4)12-17-13-18(24)23(19(17)25)11-9-10-22(7)8/h17H,1,9-15H2,2-8H3
InChIKeyQRDAKKVVEQHVCZ-UHFFFAOYSA-N
MW350.55 g/mol
LogP4.11
Rot. Bonds9

About 1-[3-(dimethylamino)propyl]-3-(4,4,6,6-tetramethyl-2-methylideneheptyl)pyrrolidine-2,5-dione

1-[3-(dimethylamino)propyl]-3-(4,4,6,6-tetramethyl-2-methylideneheptyl)pyrrolidine-2,5-dione (PubChem CID 58041336) has the molecular formula C21H38N2O2 and a molecular weight of 350.55 g/mol. Its IUPAC name is 1-[3-(dimethylamino)propyl]-3-(4,4,6,6-tetramethyl-2-methylideneheptyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[3-(dimethylamino)propyl]-3-(4,4,6,6-tetramethyl-2-methylideneheptyl)pyrrolidine-2,5-dione
PubChem CID58041336
Molecular FormulaC21H38N2O2
Molecular Weight350.55 g/mol
Exact Mass350.29
IUPAC Name1-[3-(dimethylamino)propyl]-3-(4,4,6,6-tetramethyl-2-methylideneheptyl)pyrrolidine-2,5-dione
SMILESC=C(CC1CC(=O)N(CCCN(C)C)C1=O)CC(C)(C)CC(C)(C)C
InChIInChI=1S/C21H38N2O2/c1-16(14-21(5,6)15-20(2,3)4)12-17-13-18(24)23(19(17)25)11-9-10-22(7)8/h17H,1,9-15H2,2-8H3
InChIKeyQRDAKKVVEQHVCZ-UHFFFAOYSA-N
XLogP4.11
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.55
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[3-(dimethylamino)propyl]-3-(4,4,6,6-tetramethyl-2-methylideneheptyl)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 1-[3-(dimethylamino)propyl]-3-(4,4,6,6-tetramethyl-2-methylideneheptyl)pyrrolidine-2,5-dione?
The IUPAC name of 1-[3-(dimethylamino)propyl]-3-(4,4,6,6-tetramethyl-2-methylideneheptyl)pyrrolidine-2,5-dione (CID 58041336) is 1-[3-(dimethylamino)propyl]-3-(4,4,6,6-tetramethyl-2-methylideneheptyl)pyrrolidine-2,5-dione.
What is the SMILES notation for 1-[3-(dimethylamino)propyl]-3-(4,4,6,6-tetramethyl-2-methylideneheptyl)pyrrolidine-2,5-dione?
The canonical SMILES for 1-[3-(dimethylamino)propyl]-3-(4,4,6,6-tetramethyl-2-methylideneheptyl)pyrrolidine-2,5-dione is C=C(CC1CC(=O)N(CCCN(C)C)C1=O)CC(C)(C)CC(C)(C)C.
What is the InChIKey of 1-[3-(dimethylamino)propyl]-3-(4,4,6,6-tetramethyl-2-methylideneheptyl)pyrrolidine-2,5-dione?
The InChIKey is QRDAKKVVEQHVCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H38N2O2/c1-16(14-21(5,6)15-20(2,3)4)12-17-13-18(24)23(19(17)25)11-9-10-22(7)8/h17H,1,9-15H2,2-8H3.
What are the key properties of 1-[3-(dimethylamino)propyl]-3-(4,4,6,6-tetramethyl-2-methylideneheptyl)pyrrolidine-2,5-dione?
1-[3-(dimethylamino)propyl]-3-(4,4,6,6-tetramethyl-2-methylideneheptyl)pyrrolidine-2,5-dione has a molecular weight of 350.55 g/mol, XLogP of 4.11, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(dimethylamino)propyl]-3-(4,4,6,6-tetramethyl-2-methylideneheptyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 58041336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).