3,3-dimethyl-1-[2-phenyl-2-(propylamino)ethyl]pyrrolidine-2,5-dione

C17H24N2O2 — CID 65301960

IUPAC3,3-dimethyl-1-[2-phenyl-2-(propylamino)ethyl]pyrrolidine-2,5-dione
SMILESCCCNC(CN1C(=O)CC(C)(C)C1=O)c1ccccc1
InChIInChI=1S/C17H24N2O2/c1-4-10-18-14(13-8-6-5-7-9-13)12-19-15(20)11-17(2,3)16(19)21/h5-9,14,18H,4,10-12H2,1-3H3
InChIKeyHZTNEEZJRXSSPO-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.51
Rot. Bonds6

About 3,3-dimethyl-1-[2-phenyl-2-(propylamino)ethyl]pyrrolidine-2,5-dione

3,3-dimethyl-1-[2-phenyl-2-(propylamino)ethyl]pyrrolidine-2,5-dione (PubChem CID 65301960) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 3,3-dimethyl-1-[2-phenyl-2-(propylamino)ethyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3,3-dimethyl-1-[2-phenyl-2-(propylamino)ethyl]pyrrolidine-2,5-dione
PubChem CID65301960
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name3,3-dimethyl-1-[2-phenyl-2-(propylamino)ethyl]pyrrolidine-2,5-dione
SMILESCCCNC(CN1C(=O)CC(C)(C)C1=O)c1ccccc1
InChIInChI=1S/C17H24N2O2/c1-4-10-18-14(13-8-6-5-7-9-13)12-19-15(20)11-17(2,3)16(19)21/h5-9,14,18H,4,10-12H2,1-3H3
InChIKeyHZTNEEZJRXSSPO-UHFFFAOYSA-N
XLogP2.51
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(ethylamino)-2-phenylethyl]-4,4-dimethylpiperidine-2,6-dione
CID 62933262
3-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)-2-(propylamino)propanenitrile
CID 65301387
3,3-dimethyl-1-[2-(methylamino)propyl]pyrrolidine-2,5-dione
CID 65301272
N-[(1R)-1-phenyl-2-piperidin-1-ylethyl]propan-1-amine
CID 58330527
3,3-dimethyl-1-[2-(oxolan-3-yl)-2-(propylamino)ethyl]pyrrolidine-2,5-dione
CID 104747873
N-[2-(3,4-dimethoxypyrrolidin-1-yl)-1-phenylethyl]propan-1-amine
CID 103532396
1-[2-hydroxy-2-(4-propylphenyl)ethyl]-3,3-dimethylpyrrolidine-2,5-dione
CID 65301285
(3S)-3-phenyl-3-(propylamino)propanoic acid
CID 66918405
ethyl 4-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)-2-(propylamino)butanoate
CID 65301592
1-[2-(ethylamino)-2-phenylethyl]-4-methylpiperidine-2,6-dione
CID 79507326
N-[(1S)-1,2-diphenylethyl]propan-1-amine
CID 36689865
1-(2-hydroxypropyl)-3,3-dimethylpyrrolidine-2,5-dione
CID 65298071

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-[2-phenyl-2-(propylamino)ethyl]pyrrolidine-2,5-dione?
The IUPAC name of 3,3-dimethyl-1-[2-phenyl-2-(propylamino)ethyl]pyrrolidine-2,5-dione (CID 65301960) is 3,3-dimethyl-1-[2-phenyl-2-(propylamino)ethyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 3,3-dimethyl-1-[2-phenyl-2-(propylamino)ethyl]pyrrolidine-2,5-dione?
The canonical SMILES for 3,3-dimethyl-1-[2-phenyl-2-(propylamino)ethyl]pyrrolidine-2,5-dione is CCCNC(CN1C(=O)CC(C)(C)C1=O)c1ccccc1.
What is the InChIKey of 3,3-dimethyl-1-[2-phenyl-2-(propylamino)ethyl]pyrrolidine-2,5-dione?
The InChIKey is HZTNEEZJRXSSPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-4-10-18-14(13-8-6-5-7-9-13)12-19-15(20)11-17(2,3)16(19)21/h5-9,14,18H,4,10-12H2,1-3H3.
What are the key properties of 3,3-dimethyl-1-[2-phenyl-2-(propylamino)ethyl]pyrrolidine-2,5-dione?
3,3-dimethyl-1-[2-phenyl-2-(propylamino)ethyl]pyrrolidine-2,5-dione has a molecular weight of 288.39 g/mol, XLogP of 2.51, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-[2-phenyl-2-(propylamino)ethyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 65301960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).