1-(2,6-diethylphenyl)-N-(2,6-dioxopiperidin-3-yl)-5-oxopyrrolidine-3-carboxamide

C20H25N3O4 — CID 154810817

IUPAC1-(2,6-diethylphenyl)-N-(2,6-dioxopiperidin-3-yl)-5-oxopyrrolidine-3-carboxamide
SMILESCCc1cccc(CC)c1N1CC(C(=O)NC2CCC(=O)NC2=O)CC1=O
InChIInChI=1S/C20H25N3O4/c1-3-12-6-5-7-13(4-2)18(12)23-11-14(10-17(23)25)19(26)21-15-8-9-16(24)22-20(15)27/h5-7,14-15H,3-4,8-11H2,1-2H3,(H,21,26)(H,22,24,27)
InChIKeyDFEKURJSBCMHKR-UHFFFAOYSA-N
MW371.44 g/mol
LogP1.09
Rot. Bonds5

About 1-(2,6-diethylphenyl)-N-(2,6-dioxopiperidin-3-yl)-5-oxopyrrolidine-3-carboxamide

1-(2,6-diethylphenyl)-N-(2,6-dioxopiperidin-3-yl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 154810817) has the molecular formula C20H25N3O4 and a molecular weight of 371.44 g/mol. Its IUPAC name is 1-(2,6-diethylphenyl)-N-(2,6-dioxopiperidin-3-yl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(2,6-diethylphenyl)-N-(2,6-dioxopiperidin-3-yl)-5-oxopyrrolidine-3-carboxamide
PubChem CID154810817
Molecular FormulaC20H25N3O4
Molecular Weight371.44 g/mol
Exact Mass371.18
IUPAC Name1-(2,6-diethylphenyl)-N-(2,6-dioxopiperidin-3-yl)-5-oxopyrrolidine-3-carboxamide
SMILESCCc1cccc(CC)c1N1CC(C(=O)NC2CCC(=O)NC2=O)CC1=O
InChIInChI=1S/C20H25N3O4/c1-3-12-6-5-7-13(4-2)18(12)23-11-14(10-17(23)25)19(26)21-15-8-9-16(24)22-20(15)27/h5-7,14-15H,3-4,8-11H2,1-2H3,(H,21,26)(H,22,24,27)
InChIKeyDFEKURJSBCMHKR-UHFFFAOYSA-N
XLogP1.09
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-cyclohexyl-1-(2-ethyl-6-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113186367
N-(2,6-dioxopiperidin-3-yl)-5-oxo-1-(1-phenylethyl)pyrrolidine-3-carboxamide
CID 146129255
(3S)-N-(2-chlorophenyl)-1-(2,6-diethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9056331
(3R)-1-(2,6-diethylphenyl)-N-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9056356
1-(2,6-diethylphenyl)-N-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 113186866
(3S)-1-(2,6-diethylphenyl)-5-oxo-N-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide
CID 9056335
N-(4-acetylphenyl)-1-(2,6-diethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113186924
3-[[(3R)-1-(2,6-diethylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoic acid
CID 9056341
(3R)-1-(2,6-diethylphenyl)-N-(2,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9056326
1-(2,6-diethylphenyl)-N-(3,4-difluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 113186941
N-(4-cyanophenyl)-1-(2,6-diethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113186937
trans-(1S,2R)-2-[[[1-(2,6-diethylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 108755850

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-diethylphenyl)-N-(2,6-dioxopiperidin-3-yl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(2,6-diethylphenyl)-N-(2,6-dioxopiperidin-3-yl)-5-oxopyrrolidine-3-carboxamide (CID 154810817) is 1-(2,6-diethylphenyl)-N-(2,6-dioxopiperidin-3-yl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(2,6-diethylphenyl)-N-(2,6-dioxopiperidin-3-yl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(2,6-diethylphenyl)-N-(2,6-dioxopiperidin-3-yl)-5-oxopyrrolidine-3-carboxamide is CCc1cccc(CC)c1N1CC(C(=O)NC2CCC(=O)NC2=O)CC1=O.
What is the InChIKey of 1-(2,6-diethylphenyl)-N-(2,6-dioxopiperidin-3-yl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is DFEKURJSBCMHKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O4/c1-3-12-6-5-7-13(4-2)18(12)23-11-14(10-17(23)25)19(26)21-15-8-9-16(24)22-20(15)27/h5-7,14-15H,3-4,8-11H2,1-2H3,(H,21,26)(H,22,24,27).
What are the key properties of 1-(2,6-diethylphenyl)-N-(2,6-dioxopiperidin-3-yl)-5-oxopyrrolidine-3-carboxamide?
1-(2,6-diethylphenyl)-N-(2,6-dioxopiperidin-3-yl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 371.44 g/mol, XLogP of 1.09, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-diethylphenyl)-N-(2,6-dioxopiperidin-3-yl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 154810817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).