2-[5-(dimethylamino)-6-propoxy-7,8-dihydronaphthalen-1-yl]isoindole-1,3-dione

C23H24N2O3 — CID 70430450

IUPAC2-[5-(dimethylamino)-6-propoxy-7,8-dihydronaphthalen-1-yl]isoindole-1,3-dione
SMILESCCCOC1=C(N(C)C)c2cccc(N3C(=O)c4ccccc4C3=O)c2CC1
InChIInChI=1S/C23H24N2O3/c1-4-14-28-20-13-12-15-16(21(20)24(2)3)10-7-11-19(15)25-22(26)17-8-5-6-9-18(17)23(25)27/h5-11H,4,12-14H2,1-3H3
InChIKeyAEZWEPCKQIFFMQ-UHFFFAOYSA-N
MW376.46 g/mol
LogP4.09
Rot. Bonds5

About 2-[5-(dimethylamino)-6-propoxy-7,8-dihydronaphthalen-1-yl]isoindole-1,3-dione

2-[5-(dimethylamino)-6-propoxy-7,8-dihydronaphthalen-1-yl]isoindole-1,3-dione (PubChem CID 70430450) has the molecular formula C23H24N2O3 and a molecular weight of 376.46 g/mol. Its IUPAC name is 2-[5-(dimethylamino)-6-propoxy-7,8-dihydronaphthalen-1-yl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[5-(dimethylamino)-6-propoxy-7,8-dihydronaphthalen-1-yl]isoindole-1,3-dione
PubChem CID70430450
Molecular FormulaC23H24N2O3
Molecular Weight376.46 g/mol
Exact Mass376.18
IUPAC Name2-[5-(dimethylamino)-6-propoxy-7,8-dihydronaphthalen-1-yl]isoindole-1,3-dione
SMILESCCCOC1=C(N(C)C)c2cccc(N3C(=O)c4ccccc4C3=O)c2CC1
InChIInChI=1S/C23H24N2O3/c1-4-14-28-20-13-12-15-16(21(20)24(2)3)10-7-11-19(15)25-22(26)17-8-5-6-9-18(17)23(25)27/h5-11H,4,12-14H2,1-3H3
InChIKeyAEZWEPCKQIFFMQ-UHFFFAOYSA-N
XLogP4.09
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[5-(dimethylamino)-6-propoxy-7,8-dihydronaphthalen-1-yl]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

Frequently Asked Questions

What is the IUPAC name of 2-[5-(dimethylamino)-6-propoxy-7,8-dihydronaphthalen-1-yl]isoindole-1,3-dione?
The IUPAC name of 2-[5-(dimethylamino)-6-propoxy-7,8-dihydronaphthalen-1-yl]isoindole-1,3-dione (CID 70430450) is 2-[5-(dimethylamino)-6-propoxy-7,8-dihydronaphthalen-1-yl]isoindole-1,3-dione.
What is the SMILES notation for 2-[5-(dimethylamino)-6-propoxy-7,8-dihydronaphthalen-1-yl]isoindole-1,3-dione?
The canonical SMILES for 2-[5-(dimethylamino)-6-propoxy-7,8-dihydronaphthalen-1-yl]isoindole-1,3-dione is CCCOC1=C(N(C)C)c2cccc(N3C(=O)c4ccccc4C3=O)c2CC1.
What is the InChIKey of 2-[5-(dimethylamino)-6-propoxy-7,8-dihydronaphthalen-1-yl]isoindole-1,3-dione?
The InChIKey is AEZWEPCKQIFFMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O3/c1-4-14-28-20-13-12-15-16(21(20)24(2)3)10-7-11-19(15)25-22(26)17-8-5-6-9-18(17)23(25)27/h5-11H,4,12-14H2,1-3H3.
What are the key properties of 2-[5-(dimethylamino)-6-propoxy-7,8-dihydronaphthalen-1-yl]isoindole-1,3-dione?
2-[5-(dimethylamino)-6-propoxy-7,8-dihydronaphthalen-1-yl]isoindole-1,3-dione has a molecular weight of 376.46 g/mol, XLogP of 4.09, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(dimethylamino)-6-propoxy-7,8-dihydronaphthalen-1-yl]isoindole-1,3-dione is sourced from PubChem (CID 70430450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).