(3R)-1-benzyl-3-(dipropylamino)pyrrolidine-2,5-dione

C17H24N2O2 — CID 945717

IUPAC(3R)-1-benzyl-3-(dipropylamino)pyrrolidine-2,5-dione
SMILESCCCN(CCC)[C@@H]1CC(=O)N(Cc2ccccc2)C1=O
InChIInChI=1S/C17H24N2O2/c1-3-10-18(11-4-2)15-12-16(20)19(17(15)21)13-14-8-6-5-7-9-14/h5-9,15H,3-4,10-13H2,1-2H3/t15-/m1/s1
InChIKeyBCCBFBZEOXHEKN-OAHLLOKOSA-N
MW288.39 g/mol
LogP2.44
Rot. Bonds7

About (3R)-1-benzyl-3-(dipropylamino)pyrrolidine-2,5-dione

(3R)-1-benzyl-3-(dipropylamino)pyrrolidine-2,5-dione (PubChem CID 945717) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is (3R)-1-benzyl-3-(dipropylamino)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3R)-1-benzyl-3-(dipropylamino)pyrrolidine-2,5-dione
PubChem CID945717
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name(3R)-1-benzyl-3-(dipropylamino)pyrrolidine-2,5-dione
SMILESCCCN(CCC)[C@@H]1CC(=O)N(Cc2ccccc2)C1=O
InChIInChI=1S/C17H24N2O2/c1-3-10-18(11-4-2)15-12-16(20)19(17(15)21)13-14-8-6-5-7-9-14/h5-9,15H,3-4,10-13H2,1-2H3/t15-/m1/s1
InChIKeyBCCBFBZEOXHEKN-OAHLLOKOSA-N
XLogP2.44
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.44
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

N-[(3S)-1-benzyl-2,5-dioxopyrrolidin-3-yl]-N-oxidoheptanamide
CID 2006792
1-benzyl-3-ethylsulfanylpyrrolidine-2,5-dione
CID 132966694
[(3R)-1-benzyl-2,5-dioxopyrrolidin-3-yl]-[(3S)-1-benzyl-2,5-dioxopyrrolidin-3-yl]azanium
CID 7456285
1-benzyl-3-[2-chloroethyl-[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]amino]pyrrolidine-2,5-dione
CID 154985863
1-benzyl-3-[(2-chloro-6-fluorophenyl)methyl-methylamino]pyrrolidine-2,5-dione
CID 42897610
1-benzyl-3-pentoxypyrrolidine-2,5-dione
CID 67816194
(3S)-1-benzyl-3-[4-[(3S)-1-benzyl-2,5-dioxopyrrolidin-3-yl]piperazin-1-yl]pyrrolidine-2,5-dione
CID 51620013
(3S)-3-(dibenzylamino)-1-prop-2-ynylpyrrolidine-2,5-dione
CID 177439034
(3S)-1-benzyl-3-piperidin-1-ium-1-ylpyrrolidine-2,5-dione
CID 6923630
1-benzyl-3-phenylsulfanylpyrrolidine-2,5-dione
CID 86231924
(3S)-1-benzyl-3-[(4-methylphenyl)methyl]pyrrolidine-2,5-dione
CID 785093
3-[[(1-methyl-2,5-dioxopyrrolidin-3-yl)-propylamino]methyl]benzoic acid
CID 122033997

Frequently Asked Questions

What is the IUPAC name of (3R)-1-benzyl-3-(dipropylamino)pyrrolidine-2,5-dione?
The IUPAC name of (3R)-1-benzyl-3-(dipropylamino)pyrrolidine-2,5-dione (CID 945717) is (3R)-1-benzyl-3-(dipropylamino)pyrrolidine-2,5-dione.
What is the SMILES notation for (3R)-1-benzyl-3-(dipropylamino)pyrrolidine-2,5-dione?
The canonical SMILES for (3R)-1-benzyl-3-(dipropylamino)pyrrolidine-2,5-dione is CCCN(CCC)[C@@H]1CC(=O)N(Cc2ccccc2)C1=O.
What is the InChIKey of (3R)-1-benzyl-3-(dipropylamino)pyrrolidine-2,5-dione?
The InChIKey is BCCBFBZEOXHEKN-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-3-10-18(11-4-2)15-12-16(20)19(17(15)21)13-14-8-6-5-7-9-14/h5-9,15H,3-4,10-13H2,1-2H3/t15-/m1/s1.
What are the key properties of (3R)-1-benzyl-3-(dipropylamino)pyrrolidine-2,5-dione?
(3R)-1-benzyl-3-(dipropylamino)pyrrolidine-2,5-dione has a molecular weight of 288.39 g/mol, XLogP of 2.44, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-benzyl-3-(dipropylamino)pyrrolidine-2,5-dione is sourced from PubChem (CID 945717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).