2-[4-[methyl(1-phenylethyl)amino]butyl]isoindole-1,3-dione

C21H24N2O2 — CID 18088905

IUPAC2-[4-[methyl(1-phenylethyl)amino]butyl]isoindole-1,3-dione
SMILESCC(c1ccccc1)N(C)CCCCN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C21H24N2O2/c1-16(17-10-4-3-5-11-17)22(2)14-8-9-15-23-20(24)18-12-6-7-13-19(18)21(23)25/h3-7,10-13,16H,8-9,14-15H2,1-2H3
InChIKeyCNAPDMKUWHCCAU-UHFFFAOYSA-N
MW336.44 g/mol
LogP3.76
Rot. Bonds7

About 2-[4-[methyl(1-phenylethyl)amino]butyl]isoindole-1,3-dione

2-[4-[methyl(1-phenylethyl)amino]butyl]isoindole-1,3-dione (PubChem CID 18088905) has the molecular formula C21H24N2O2 and a molecular weight of 336.44 g/mol. Its IUPAC name is 2-[4-[methyl(1-phenylethyl)amino]butyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[4-[methyl(1-phenylethyl)amino]butyl]isoindole-1,3-dione
PubChem CID18088905
Molecular FormulaC21H24N2O2
Molecular Weight336.44 g/mol
Exact Mass336.18
IUPAC Name2-[4-[methyl(1-phenylethyl)amino]butyl]isoindole-1,3-dione
SMILESCC(c1ccccc1)N(C)CCCCN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C21H24N2O2/c1-16(17-10-4-3-5-11-17)22(2)14-8-9-15-23-20(24)18-12-6-7-13-19(18)21(23)25/h3-7,10-13,16H,8-9,14-15H2,1-2H3
InChIKeyCNAPDMKUWHCCAU-UHFFFAOYSA-N
XLogP3.76
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 53.76
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'}

Analyze 2-[4-[methyl(1-phenylethyl)amino]butyl]isoindole-1,3-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[7-(dimethylamino)heptyl]isoindole-1,3-dione
CID 139959528
2-[4-(1,3-dioxoisoindol-2-yl)(1,4-13C2)butyl]isoindole-1,3-dione
CID 10784038
4-(1,3-dioxobenzo[de]isoquinolin-2-yl)-N-methyl-N-(1-phenylethyl)butanamide
CID 43021998
3-[3-(1,3-dioxoisoindol-2-yl)propyl-methylamino]propanoic acid
CID 82224048
2-[4-[(2-methyl-1-phenylpropyl)amino]butyl]isoindole-1,3-dione
CID 24626994
2-(2-phenylpropyl)isoindole-1,3-dione
CID 10869184
12-[bis[12-(1,3-dioxoisoindol-2-yl)dodecyl]amino]dodecyl-trimethylazanium
CID 118517529
bis[3-(1,3-dioxoisoindol-2-yl)propyl]carbamic acid
CID 134307088
2-(5-methylhexadecyl)isoindole-1,3-dione
CID 70431675
2-(3-methoxypropyl)-N-methyl-1,3-dioxo-N-(1-phenylethyl)isoindole-5-carboxamide
CID 51188195
(2S)-5-(1,3-dioxoisoindol-2-yl)-2-hydroxypentanoic acid
CID 22795885
2-[2-[2-[2-[2-(1,3-dioxoisoindol-2-yl)ethyl-methylamino]ethyl-methylamino]ethyl-methylamino]ethyl]isoindole-1,3-dione
CID 166009337

Frequently Asked Questions

What is the IUPAC name of 2-[4-[methyl(1-phenylethyl)amino]butyl]isoindole-1,3-dione?
The IUPAC name of 2-[4-[methyl(1-phenylethyl)amino]butyl]isoindole-1,3-dione (CID 18088905) is 2-[4-[methyl(1-phenylethyl)amino]butyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[4-[methyl(1-phenylethyl)amino]butyl]isoindole-1,3-dione?
The canonical SMILES for 2-[4-[methyl(1-phenylethyl)amino]butyl]isoindole-1,3-dione is CC(c1ccccc1)N(C)CCCCN1C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-[4-[methyl(1-phenylethyl)amino]butyl]isoindole-1,3-dione?
The InChIKey is CNAPDMKUWHCCAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O2/c1-16(17-10-4-3-5-11-17)22(2)14-8-9-15-23-20(24)18-12-6-7-13-19(18)21(23)25/h3-7,10-13,16H,8-9,14-15H2,1-2H3.
What are the key properties of 2-[4-[methyl(1-phenylethyl)amino]butyl]isoindole-1,3-dione?
2-[4-[methyl(1-phenylethyl)amino]butyl]isoindole-1,3-dione has a molecular weight of 336.44 g/mol, XLogP of 3.76, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[methyl(1-phenylethyl)amino]butyl]isoindole-1,3-dione is sourced from PubChem (CID 18088905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).