1-benzyl-3-(cyclohexylamino)pyrrolidine-2,5-dione

C17H22N2O2 — CID 155114952

IUPAC1-benzyl-3-(cyclohexylamino)pyrrolidine-2,5-dione
SMILESO=C1CC(NC2CCCCC2)C(=O)N1Cc1ccccc1
InChIInChI=1S/C17H22N2O2/c20-16-11-15(18-14-9-5-2-6-10-14)17(21)19(16)12-13-7-3-1-4-8-13/h1,3-4,7-8,14-15,18H,2,5-6,9-12H2
InChIKeyMGLZVSMKWUUFBD-UHFFFAOYSA-N
MW286.37 g/mol
LogP2.24
Rot. Bonds4

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

1-benzyl-3-(cyclohexylamino)pyrrolidine-2,5-dione (PubChem CID 155114952) has the molecular formula C17H22N2O2 and a molecular weight of 286.37 g/mol. Its IUPAC name is 1-benzyl-3-(cyclohexylamino)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-benzyl-3-(cyclohexylamino)pyrrolidine-2,5-dione
PubChem CID155114952
Molecular FormulaC17H22N2O2
Molecular Weight286.37 g/mol
Exact Mass286.17
IUPAC Name1-benzyl-3-(cyclohexylamino)pyrrolidine-2,5-dione
SMILESO=C1CC(NC2CCCCC2)C(=O)N1Cc1ccccc1
InChIInChI=1S/C17H22N2O2/c20-16-11-15(18-14-9-5-2-6-10-14)17(21)19(16)12-13-7-3-1-4-8-13/h1,3-4,7-8,14-15,18H,2,5-6,9-12H2
InChIKeyMGLZVSMKWUUFBD-UHFFFAOYSA-N
XLogP2.24
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 52.24
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

3-(cyclooctylamino)-1-propylpyrrolidine-2,5-dione
CID 43636456
N'-(1-benzyl-2,5-dioxopyrrolidin-3-yl)benzohydrazide
CID 4101151
(3S)-1-benzyl-3-(4-methylsulfanylanilino)pyrrolidine-2,5-dione
CID 25345840
(3S)-1-benzyl-3-[4-[(3S)-1-benzyl-2,5-dioxopyrrolidin-3-yl]piperazin-1-yl]pyrrolidine-2,5-dione
CID 51620013
(3S)-1-benzyl-3-piperidin-1-ium-1-ylpyrrolidine-2,5-dione
CID 6923630
[(3R)-1-benzyl-2,5-dioxopyrrolidin-3-yl]-[(3S)-1-benzyl-2,5-dioxopyrrolidin-3-yl]azanium
CID 7456285
N'-[(3R)-1-benzyl-2,5-dioxopyrrolidin-3-yl]-4-fluorobenzohydrazide
CID 2492890
(3R)-3-[(1-benzylpiperidin-4-yl)amino]-1-(2,3-dihydro-1H-inden-5-yl)pyrrolidine-2,5-dione
CID 98708459
(3R)-1-benzyl-3-(3,4-dimethoxyanilino)pyrrolidine-2,5-dione
CID 51613691
1-benzyl-3a,4,5,6-tetrahydro-3H-indol-2-one
CID 101011674
1-benzyl-3-phenylsulfanylpyrrolidine-2,5-dione
CID 86231924
(4R,8aS)-2-benzyl-4-phenyl-6,7,8,8a-tetrahydro-4H-pyrrolo[1,2-a]pyrazine-1,3-dione
CID 56641085

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-(cyclohexylamino)pyrrolidine-2,5-dione?
The IUPAC name of 1-benzyl-3-(cyclohexylamino)pyrrolidine-2,5-dione (CID 155114952) is 1-benzyl-3-(cyclohexylamino)pyrrolidine-2,5-dione.
What is the SMILES notation for 1-benzyl-3-(cyclohexylamino)pyrrolidine-2,5-dione?
The canonical SMILES for 1-benzyl-3-(cyclohexylamino)pyrrolidine-2,5-dione is O=C1CC(NC2CCCCC2)C(=O)N1Cc1ccccc1.
What is the InChIKey of 1-benzyl-3-(cyclohexylamino)pyrrolidine-2,5-dione?
The InChIKey is MGLZVSMKWUUFBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c20-16-11-15(18-14-9-5-2-6-10-14)17(21)19(16)12-13-7-3-1-4-8-13/h1,3-4,7-8,14-15,18H,2,5-6,9-12H2.
What are the key properties of 1-benzyl-3-(cyclohexylamino)pyrrolidine-2,5-dione?
1-benzyl-3-(cyclohexylamino)pyrrolidine-2,5-dione has a molecular weight of 286.37 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-(cyclohexylamino)pyrrolidine-2,5-dione is sourced from PubChem (CID 155114952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).