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

C22H26N2O2 — CID 24626994

IUPAC2-[4-[(2-methyl-1-phenylpropyl)amino]butyl]isoindole-1,3-dione
SMILESCC(C)C(NCCCCN1C(=O)c2ccccc2C1=O)c1ccccc1
InChIInChI=1S/C22H26N2O2/c1-16(2)20(17-10-4-3-5-11-17)23-14-8-9-15-24-21(25)18-12-6-7-13-19(18)22(24)26/h3-7,10-13,16,20,23H,8-9,14-15H2,1-2H3
InChIKeyZDXWVCXZMCDMSN-UHFFFAOYSA-N
MW350.46 g/mol
LogP4.05
Rot. Bonds8

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

2-[4-[(2-methyl-1-phenylpropyl)amino]butyl]isoindole-1,3-dione (PubChem CID 24626994) has the molecular formula C22H26N2O2 and a molecular weight of 350.46 g/mol. Its IUPAC name is 2-[4-[(2-methyl-1-phenylpropyl)amino]butyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[4-[(2-methyl-1-phenylpropyl)amino]butyl]isoindole-1,3-dione
PubChem CID24626994
Molecular FormulaC22H26N2O2
Molecular Weight350.46 g/mol
Exact Mass350.20
IUPAC Name2-[4-[(2-methyl-1-phenylpropyl)amino]butyl]isoindole-1,3-dione
SMILESCC(C)C(NCCCCN1C(=O)c2ccccc2C1=O)c1ccccc1
InChIInChI=1S/C22H26N2O2/c1-16(2)20(17-10-4-3-5-11-17)23-14-8-9-15-24-21(25)18-12-6-7-13-19(18)22(24)26/h3-7,10-13,16,20,23H,8-9,14-15H2,1-2H3
InChIKeyZDXWVCXZMCDMSN-UHFFFAOYSA-N
XLogP4.05
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 54.05
H-Bond Donors ≤ 51
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-[(2-methyl-1-phenylpropyl)amino]butyl]isoindole-1,3-dione with MolForge

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Related Compounds

2-[4-(pentan-3-ylamino)butyl]isoindole-1,3-dione
CID 119158120
(2S,3S)-2-[4-(1,3-dioxoisoindol-2-yl)butylamino]-3-methylpentanoic acid
CID 122099912
2-[4-(1-methoxypropan-2-ylamino)butyl]isoindole-1,3-dione
CID 119159724
2-[4-(1,3-dioxoisoindol-2-yl)(1,4-13C2)butyl]isoindole-1,3-dione
CID 10784038
1-[3-(1,3-dioxoisoindol-2-yl)propyl]-3-(1-phenylethyl)urea
CID 108889374
2-[3-[[cyclopropyl(phenyl)methyl]amino]propyl]isoindole-1,3-dione
CID 112809038
(2S)-2-[2-(1,3-dioxoisoindol-2-yl)ethylamino]-3,3-dimethylbutanoic acid
CID 68771693
2-[4-[methyl(1-phenylethyl)amino]butyl]isoindole-1,3-dione
CID 18088905
4-(1,3-dioxoisoindol-2-yl)-N-[1-(4-methoxyphenyl)-2-methylpropyl]butanamide
CID 18200491
2-[3-[1-(2-methylphenyl)ethylamino]propyl]isoindole-1,3-dione
CID 112801132
3-[(2-methyl-1-phenylpropyl)amino]propanoic acid
CID 43234771
2-[3-[10-[3-(1,3-dioxoisoindol-2-yl)propylamino]decylamino]propyl]isoindole-1,3-dione
CID 46192998

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-methyl-1-phenylpropyl)amino]butyl]isoindole-1,3-dione?
The IUPAC name of 2-[4-[(2-methyl-1-phenylpropyl)amino]butyl]isoindole-1,3-dione (CID 24626994) is 2-[4-[(2-methyl-1-phenylpropyl)amino]butyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[4-[(2-methyl-1-phenylpropyl)amino]butyl]isoindole-1,3-dione?
The canonical SMILES for 2-[4-[(2-methyl-1-phenylpropyl)amino]butyl]isoindole-1,3-dione is CC(C)C(NCCCCN1C(=O)c2ccccc2C1=O)c1ccccc1.
What is the InChIKey of 2-[4-[(2-methyl-1-phenylpropyl)amino]butyl]isoindole-1,3-dione?
The InChIKey is ZDXWVCXZMCDMSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O2/c1-16(2)20(17-10-4-3-5-11-17)23-14-8-9-15-24-21(25)18-12-6-7-13-19(18)22(24)26/h3-7,10-13,16,20,23H,8-9,14-15H2,1-2H3.
What are the key properties of 2-[4-[(2-methyl-1-phenylpropyl)amino]butyl]isoindole-1,3-dione?
2-[4-[(2-methyl-1-phenylpropyl)amino]butyl]isoindole-1,3-dione has a molecular weight of 350.46 g/mol, XLogP of 4.05, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-methyl-1-phenylpropyl)amino]butyl]isoindole-1,3-dione is sourced from PubChem (CID 24626994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).