2-[2-[benzyl(hexyl)amino]ethyl]isoindole-1,3-dione

C23H28N2O2 — CID 22067483

IUPAC2-[2-[benzyl(hexyl)amino]ethyl]isoindole-1,3-dione
SMILESCCCCCCN(CCN1C(=O)c2ccccc2C1=O)Cc1ccccc1
InChIInChI=1S/C23H28N2O2/c1-2-3-4-10-15-24(18-19-11-6-5-7-12-19)16-17-25-22(26)20-13-8-9-14-21(20)23(25)27/h5-9,11-14H,2-4,10,15-18H2,1H3
InChIKeyLOOFQIVGISPBFZ-UHFFFAOYSA-N
MW364.49 g/mol
LogP4.37
Rot. Bonds10

About 2-[2-[benzyl(hexyl)amino]ethyl]isoindole-1,3-dione

2-[2-[benzyl(hexyl)amino]ethyl]isoindole-1,3-dione (PubChem CID 22067483) has the molecular formula C23H28N2O2 and a molecular weight of 364.49 g/mol. Its IUPAC name is 2-[2-[benzyl(hexyl)amino]ethyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[2-[benzyl(hexyl)amino]ethyl]isoindole-1,3-dione
PubChem CID22067483
Molecular FormulaC23H28N2O2
Molecular Weight364.49 g/mol
Exact Mass364.22
IUPAC Name2-[2-[benzyl(hexyl)amino]ethyl]isoindole-1,3-dione
SMILESCCCCCCN(CCN1C(=O)c2ccccc2C1=O)Cc1ccccc1
InChIInChI=1S/C23H28N2O2/c1-2-3-4-10-15-24(18-19-11-6-5-7-12-19)16-17-25-22(26)20-13-8-9-14-21(20)23(25)27/h5-9,11-14H,2-4,10,15-18H2,1H3
InChIKeyLOOFQIVGISPBFZ-UHFFFAOYSA-N
XLogP4.37
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(dioctylamino)ethyl]isoindole-1,3-dione
CID 170273237
2-[[decyl-[(1,3-dioxoisoindol-2-yl)methyl]amino]methyl]isoindole-1,3-dione
CID 154096403
N-benzyl-N-propylhexan-1-amine
CID 123983090
N,N-dibenzyldodecan-1-amine
CID 11508874
N,N-dibenzylnonan-1-amine;hydrochloride
CID 173190892
N-benzyl-N-(4-bromobutyl)octadecan-1-amine
CID 173422104
2-[4-[benzyl(propyl)amino]butyl]-5-nitroisoindole-1,3-dione
CID 14985666
N'-benzyl-N'-hexadecylethane-1,2-diamine
CID 22067437
2-[benzyl(nonyl)amino]ethanol
CID 63469962
N-benzyl-N-(2-bromoethyl)pentan-1-amine
CID 80679687
N-benzyl-N-propylbutan-1-amine;ethane
CID 143530424
7-[bis[2-(1,3-dioxoisoindol-2-yl)ethyl]amino]heptanenitrile
CID 19811078

Frequently Asked Questions

What is the IUPAC name of 2-[2-[benzyl(hexyl)amino]ethyl]isoindole-1,3-dione?
The IUPAC name of 2-[2-[benzyl(hexyl)amino]ethyl]isoindole-1,3-dione (CID 22067483) is 2-[2-[benzyl(hexyl)amino]ethyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[2-[benzyl(hexyl)amino]ethyl]isoindole-1,3-dione?
The canonical SMILES for 2-[2-[benzyl(hexyl)amino]ethyl]isoindole-1,3-dione is CCCCCCN(CCN1C(=O)c2ccccc2C1=O)Cc1ccccc1.
What is the InChIKey of 2-[2-[benzyl(hexyl)amino]ethyl]isoindole-1,3-dione?
The InChIKey is LOOFQIVGISPBFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O2/c1-2-3-4-10-15-24(18-19-11-6-5-7-12-19)16-17-25-22(26)20-13-8-9-14-21(20)23(25)27/h5-9,11-14H,2-4,10,15-18H2,1H3.
What are the key properties of 2-[2-[benzyl(hexyl)amino]ethyl]isoindole-1,3-dione?
2-[2-[benzyl(hexyl)amino]ethyl]isoindole-1,3-dione has a molecular weight of 364.49 g/mol, XLogP of 4.37, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[benzyl(hexyl)amino]ethyl]isoindole-1,3-dione is sourced from PubChem (CID 22067483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).