1-[3-(dimethylamino)propyl]-3-[(E)-2-hexyldec-2-enyl]pyrrolidine-2,5-dione

C25H46N2O2 — CID 118424589

IUPAC1-[3-(dimethylamino)propyl]-3-[(E)-2-hexyldec-2-enyl]pyrrolidine-2,5-dione
SMILESCCCCCCC/C=C(\CCCCCC)CC1CC(=O)N(CCCN(C)C)C1=O
InChIInChI=1S/C25H46N2O2/c1-5-7-9-11-12-14-17-22(16-13-10-8-6-2)20-23-21-24(28)27(25(23)29)19-15-18-26(3)4/h17,23H,5-16,18-21H2,1-4H3/b22-17+
InChIKeyFANJEVQZEQBYRX-OQKWZONESA-N
MW406.66 g/mol
LogP5.96
Rot. Bonds17

About 1-[3-(dimethylamino)propyl]-3-[(E)-2-hexyldec-2-enyl]pyrrolidine-2,5-dione

1-[3-(dimethylamino)propyl]-3-[(E)-2-hexyldec-2-enyl]pyrrolidine-2,5-dione (PubChem CID 118424589) has the molecular formula C25H46N2O2 and a molecular weight of 406.66 g/mol. Its IUPAC name is 1-[3-(dimethylamino)propyl]-3-[(E)-2-hexyldec-2-enyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[3-(dimethylamino)propyl]-3-[(E)-2-hexyldec-2-enyl]pyrrolidine-2,5-dione
PubChem CID118424589
Molecular FormulaC25H46N2O2
Molecular Weight406.66 g/mol
Exact Mass406.36
IUPAC Name1-[3-(dimethylamino)propyl]-3-[(E)-2-hexyldec-2-enyl]pyrrolidine-2,5-dione
SMILESCCCCCCC/C=C(\CCCCCC)CC1CC(=O)N(CCCN(C)C)C1=O
InChIInChI=1S/C25H46N2O2/c1-5-7-9-11-12-14-17-22(16-13-10-8-6-2)20-23-21-24(28)27(25(23)29)19-15-18-26(3)4/h17,23H,5-16,18-21H2,1-4H3/b22-17+
InChIKeyFANJEVQZEQBYRX-OQKWZONESA-N
XLogP5.96
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds17
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.66
LogP ≤ 55.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[3-(dimethylamino)propyl]-3-[(E)-2-hexyldec-2-enyl]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-[(E)-2-hexyldec-2-enyl]pyrrolidine-2,5-dione?
The IUPAC name of 1-[3-(dimethylamino)propyl]-3-[(E)-2-hexyldec-2-enyl]pyrrolidine-2,5-dione (CID 118424589) is 1-[3-(dimethylamino)propyl]-3-[(E)-2-hexyldec-2-enyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-[3-(dimethylamino)propyl]-3-[(E)-2-hexyldec-2-enyl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-[3-(dimethylamino)propyl]-3-[(E)-2-hexyldec-2-enyl]pyrrolidine-2,5-dione is CCCCCCC/C=C(\CCCCCC)CC1CC(=O)N(CCCN(C)C)C1=O.
What is the InChIKey of 1-[3-(dimethylamino)propyl]-3-[(E)-2-hexyldec-2-enyl]pyrrolidine-2,5-dione?
The InChIKey is FANJEVQZEQBYRX-OQKWZONESA-N. The full InChI is InChI=1S/C25H46N2O2/c1-5-7-9-11-12-14-17-22(16-13-10-8-6-2)20-23-21-24(28)27(25(23)29)19-15-18-26(3)4/h17,23H,5-16,18-21H2,1-4H3/b22-17+.
What are the key properties of 1-[3-(dimethylamino)propyl]-3-[(E)-2-hexyldec-2-enyl]pyrrolidine-2,5-dione?
1-[3-(dimethylamino)propyl]-3-[(E)-2-hexyldec-2-enyl]pyrrolidine-2,5-dione has a molecular weight of 406.66 g/mol, XLogP of 5.96, 17 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-[(E)-2-hexyldec-2-enyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 118424589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).