1-[3-(dibenzylamino)propyl]-3-ethyl-3-methylpyrrolidine-2,5-dione;hydrochloride

C24H31ClN2O2 — CID 67935745

IUPAC1-[3-(dibenzylamino)propyl]-3-ethyl-3-methylpyrrolidine-2,5-dione;hydrochloride
SMILESCCC1(C)CC(=O)N(CCCN(Cc2ccccc2)Cc2ccccc2)C1=O.Cl
InChIInChI=1S/C24H30N2O2.ClH/c1-3-24(2)17-22(27)26(23(24)28)16-10-15-25(18-20-11-6-4-7-12-20)19-21-13-8-5-9-14-21;/h4-9,11-14H,3,10,15-19H2,1-2H3;1H
InChIKeyHKIUHTWLHJDYCA-UHFFFAOYSA-N
MW414.98 g/mol
LogP4.68
Rot. Bonds9

About 1-[3-(dibenzylamino)propyl]-3-ethyl-3-methylpyrrolidine-2,5-dione;hydrochloride

1-[3-(dibenzylamino)propyl]-3-ethyl-3-methylpyrrolidine-2,5-dione;hydrochloride (PubChem CID 67935745) has the molecular formula C24H31ClN2O2 and a molecular weight of 414.98 g/mol. Its IUPAC name is 1-[3-(dibenzylamino)propyl]-3-ethyl-3-methylpyrrolidine-2,5-dione;hydrochloride.

Molecular Properties

Compound Name1-[3-(dibenzylamino)propyl]-3-ethyl-3-methylpyrrolidine-2,5-dione;hydrochloride
PubChem CID67935745
Molecular FormulaC24H31ClN2O2
Molecular Weight414.98 g/mol
Exact Mass414.21
IUPAC Name1-[3-(dibenzylamino)propyl]-3-ethyl-3-methylpyrrolidine-2,5-dione;hydrochloride
SMILESCCC1(C)CC(=O)N(CCCN(Cc2ccccc2)Cc2ccccc2)C1=O.Cl
InChIInChI=1S/C24H30N2O2.ClH/c1-3-24(2)17-22(27)26(23(24)28)16-10-15-25(18-20-11-6-4-7-12-20)19-21-13-8-5-9-14-21;/h4-9,11-14H,3,10,15-19H2,1-2H3;1H
InChIKeyHKIUHTWLHJDYCA-UHFFFAOYSA-N
XLogP4.68
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.98
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(Phenylmethyl)-2,5-pyrrolidinedione
CID 95241
N,N'-dibenzyl-N,N'-diethylpropanediamide
CID 2392254
N-benzyl-1-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide
CID 3239373
N,N'-Dibenzyl-N,N'-dimethyl-malonamide
CID 2392235
3-(4-Benzylpiperazin-1-yl)-1-(2-phenylethyl)pyrrolidine-2,5-dione
CID 2853692
N-Methyl-N-(1-phenyl-2-(1-pyrrolidinyl)ethyl)phenylacetamide
CID 190901
N-benzyl-N-methyl-3-phenylpropanamide
CID 670103
N-methyl-2-phenyl-N-(1-phenyl-2-pyrrolidin-1-ylethyl)acetamide
CID 3298213
1-Benzyl-4,4-dimethylpiperidine-2,6-dione
CID 4417522
1-[8-(Dimethylamino)-8-phenyl-3-azaspiro[4.5]decan-3-yl]-butan-1-one
CID 118662309
1-Benzyl-4-phenylpyrrolidin-2-one
CID 2843346
7-Benzyl-2-methyl-2,7-diazaspiro[4.4]nonane-1,3,8-trione
CID 2868934

Frequently Asked Questions

What is the IUPAC name of 1-[3-(dibenzylamino)propyl]-3-ethyl-3-methylpyrrolidine-2,5-dione;hydrochloride?
The IUPAC name of 1-[3-(dibenzylamino)propyl]-3-ethyl-3-methylpyrrolidine-2,5-dione;hydrochloride (CID 67935745) is 1-[3-(dibenzylamino)propyl]-3-ethyl-3-methylpyrrolidine-2,5-dione;hydrochloride.
What is the SMILES notation for 1-[3-(dibenzylamino)propyl]-3-ethyl-3-methylpyrrolidine-2,5-dione;hydrochloride?
The canonical SMILES for 1-[3-(dibenzylamino)propyl]-3-ethyl-3-methylpyrrolidine-2,5-dione;hydrochloride is CCC1(C)CC(=O)N(CCCN(Cc2ccccc2)Cc2ccccc2)C1=O.Cl.
What is the InChIKey of 1-[3-(dibenzylamino)propyl]-3-ethyl-3-methylpyrrolidine-2,5-dione;hydrochloride?
The InChIKey is HKIUHTWLHJDYCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O2.ClH/c1-3-24(2)17-22(27)26(23(24)28)16-10-15-25(18-20-11-6-4-7-12-20)19-21-13-8-5-9-14-21;/h4-9,11-14H,3,10,15-19H2,1-2H3;1H.
What are the key properties of 1-[3-(dibenzylamino)propyl]-3-ethyl-3-methylpyrrolidine-2,5-dione;hydrochloride?
1-[3-(dibenzylamino)propyl]-3-ethyl-3-methylpyrrolidine-2,5-dione;hydrochloride has a molecular weight of 414.98 g/mol, XLogP of 4.68, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(dibenzylamino)propyl]-3-ethyl-3-methylpyrrolidine-2,5-dione;hydrochloride is sourced from PubChem (CID 67935745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).