1-[5-(diethylamino)pentyl]-3-phenylpyrrolidine-2,5-dione;hydrochloride

C19H29ClN2O2 — CID 3057903

IUPAC1-[5-(diethylamino)pentyl]-3-phenylpyrrolidine-2,5-dione;hydrochloride
SMILESCCN(CC)CCCCCN1C(=O)CC(c2ccccc2)C1=O.Cl
InChIInChI=1S/C19H28N2O2.ClH/c1-3-20(4-2)13-9-6-10-14-21-18(22)15-17(19(21)23)16-11-7-5-8-12-16;/h5,7-8,11-12,17H,3-4,6,9-10,13-15H2,1-2H3;1H
InChIKeyNYINCURWMKTQLQ-UHFFFAOYSA-N
MW352.91 g/mol
LogP3.46
Rot. Bonds9

About 1-[5-(diethylamino)pentyl]-3-phenylpyrrolidine-2,5-dione;hydrochloride

1-[5-(diethylamino)pentyl]-3-phenylpyrrolidine-2,5-dione;hydrochloride (PubChem CID 3057903) has the molecular formula C19H29ClN2O2 and a molecular weight of 352.91 g/mol. Its IUPAC name is 1-[5-(diethylamino)pentyl]-3-phenylpyrrolidine-2,5-dione;hydrochloride.

Molecular Properties

Compound Name1-[5-(diethylamino)pentyl]-3-phenylpyrrolidine-2,5-dione;hydrochloride
PubChem CID3057903
Molecular FormulaC19H29ClN2O2
Molecular Weight352.91 g/mol
Exact Mass352.19
IUPAC Name1-[5-(diethylamino)pentyl]-3-phenylpyrrolidine-2,5-dione;hydrochloride
SMILESCCN(CC)CCCCCN1C(=O)CC(c2ccccc2)C1=O.Cl
InChIInChI=1S/C19H28N2O2.ClH/c1-3-20(4-2)13-9-6-10-14-21-18(22)15-17(19(21)23)16-11-7-5-8-12-16;/h5,7-8,11-12,17H,3-4,6,9-10,13-15H2,1-2H3;1H
InChIKeyNYINCURWMKTQLQ-UHFFFAOYSA-N
XLogP3.46
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.91
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[5-(diethylamino)pentyl]-3-phenylpyrrolidine-2,5-dione;hydrochloride 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-[5-(diethylamino)pentyl]-3-phenylpyrrolidine-2,5-dione;hydrochloride?
The IUPAC name of 1-[5-(diethylamino)pentyl]-3-phenylpyrrolidine-2,5-dione;hydrochloride (CID 3057903) is 1-[5-(diethylamino)pentyl]-3-phenylpyrrolidine-2,5-dione;hydrochloride.
What is the SMILES notation for 1-[5-(diethylamino)pentyl]-3-phenylpyrrolidine-2,5-dione;hydrochloride?
The canonical SMILES for 1-[5-(diethylamino)pentyl]-3-phenylpyrrolidine-2,5-dione;hydrochloride is CCN(CC)CCCCCN1C(=O)CC(c2ccccc2)C1=O.Cl.
What is the InChIKey of 1-[5-(diethylamino)pentyl]-3-phenylpyrrolidine-2,5-dione;hydrochloride?
The InChIKey is NYINCURWMKTQLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O2.ClH/c1-3-20(4-2)13-9-6-10-14-21-18(22)15-17(19(21)23)16-11-7-5-8-12-16;/h5,7-8,11-12,17H,3-4,6,9-10,13-15H2,1-2H3;1H.
What are the key properties of 1-[5-(diethylamino)pentyl]-3-phenylpyrrolidine-2,5-dione;hydrochloride?
1-[5-(diethylamino)pentyl]-3-phenylpyrrolidine-2,5-dione;hydrochloride has a molecular weight of 352.91 g/mol, XLogP of 3.46, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(diethylamino)pentyl]-3-phenylpyrrolidine-2,5-dione;hydrochloride is sourced from PubChem (CID 3057903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).