3,3-diethyl-1-[4-(propylamino)cyclohexyl]pyrrolidine-2,5-dione

C17H30N2O2 — CID 43653815

IUPAC3,3-diethyl-1-[4-(propylamino)cyclohexyl]pyrrolidine-2,5-dione
SMILESCCCNC1CCC(N2C(=O)CC(CC)(CC)C2=O)CC1
InChIInChI=1S/C17H30N2O2/c1-4-11-18-13-7-9-14(10-8-13)19-15(20)12-17(5-2,6-3)16(19)21/h13-14,18H,4-12H2,1-3H3
InChIKeyFFNIPZCGVRGSMO-UHFFFAOYSA-N
MW294.44 g/mol
LogP2.86
Rot. Bonds6

About 3,3-diethyl-1-[4-(propylamino)cyclohexyl]pyrrolidine-2,5-dione

3,3-diethyl-1-[4-(propylamino)cyclohexyl]pyrrolidine-2,5-dione (PubChem CID 43653815) has the molecular formula C17H30N2O2 and a molecular weight of 294.44 g/mol. Its IUPAC name is 3,3-diethyl-1-[4-(propylamino)cyclohexyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3,3-diethyl-1-[4-(propylamino)cyclohexyl]pyrrolidine-2,5-dione
PubChem CID43653815
Molecular FormulaC17H30N2O2
Molecular Weight294.44 g/mol
Exact Mass294.23
IUPAC Name3,3-diethyl-1-[4-(propylamino)cyclohexyl]pyrrolidine-2,5-dione
SMILESCCCNC1CCC(N2C(=O)CC(CC)(CC)C2=O)CC1
InChIInChI=1S/C17H30N2O2/c1-4-11-18-13-7-9-14(10-8-13)19-15(20)12-17(5-2,6-3)16(19)21/h13-14,18H,4-12H2,1-3H3
InChIKeyFFNIPZCGVRGSMO-UHFFFAOYSA-N
XLogP2.86
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3,3-diethyl-1-[4-(propylamino)cyclohexyl]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 3,3-diethyl-1-[4-(propylamino)cyclohexyl]pyrrolidine-2,5-dione?
The IUPAC name of 3,3-diethyl-1-[4-(propylamino)cyclohexyl]pyrrolidine-2,5-dione (CID 43653815) is 3,3-diethyl-1-[4-(propylamino)cyclohexyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 3,3-diethyl-1-[4-(propylamino)cyclohexyl]pyrrolidine-2,5-dione?
The canonical SMILES for 3,3-diethyl-1-[4-(propylamino)cyclohexyl]pyrrolidine-2,5-dione is CCCNC1CCC(N2C(=O)CC(CC)(CC)C2=O)CC1.
What is the InChIKey of 3,3-diethyl-1-[4-(propylamino)cyclohexyl]pyrrolidine-2,5-dione?
The InChIKey is FFNIPZCGVRGSMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O2/c1-4-11-18-13-7-9-14(10-8-13)19-15(20)12-17(5-2,6-3)16(19)21/h13-14,18H,4-12H2,1-3H3.
What are the key properties of 3,3-diethyl-1-[4-(propylamino)cyclohexyl]pyrrolidine-2,5-dione?
3,3-diethyl-1-[4-(propylamino)cyclohexyl]pyrrolidine-2,5-dione has a molecular weight of 294.44 g/mol, XLogP of 2.86, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-diethyl-1-[4-(propylamino)cyclohexyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 43653815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).