2-[(3,4-dimethoxyphenyl)methyl]-6-(dipropylamino)-6,7-dihydro-5H-cyclopenta[f]isoindole-1,3-dione

C26H32N2O4 — CID 18705833

IUPAC2-[(3,4-dimethoxyphenyl)methyl]-6-(dipropylamino)-6,7-dihydro-5H-cyclopenta[f]isoindole-1,3-dione
SMILESCCCN(CCC)C1Cc2cc3c(cc2C1)C(=O)N(Cc1ccc(OC)c(OC)c1)C3=O
InChIInChI=1S/C26H32N2O4/c1-5-9-27(10-6-2)20-12-18-14-21-22(15-19(18)13-20)26(30)28(25(21)29)16-17-7-8-23(31-3)24(11-17)32-4/h7-8,11,14-15,20H,5-6,9-10,12-13,16H2,1-4H3
InChIKeyNQPXBQOKXLEICY-UHFFFAOYSA-N
MW436.55 g/mol
LogP4.09
Rot. Bonds9

About 2-[(3,4-dimethoxyphenyl)methyl]-6-(dipropylamino)-6,7-dihydro-5H-cyclopenta[f]isoindole-1,3-dione

2-[(3,4-dimethoxyphenyl)methyl]-6-(dipropylamino)-6,7-dihydro-5H-cyclopenta[f]isoindole-1,3-dione (PubChem CID 18705833) has the molecular formula C26H32N2O4 and a molecular weight of 436.55 g/mol. Its IUPAC name is 2-[(3,4-dimethoxyphenyl)methyl]-6-(dipropylamino)-6,7-dihydro-5H-cyclopenta[f]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[(3,4-dimethoxyphenyl)methyl]-6-(dipropylamino)-6,7-dihydro-5H-cyclopenta[f]isoindole-1,3-dione
PubChem CID18705833
Molecular FormulaC26H32N2O4
Molecular Weight436.55 g/mol
Exact Mass436.24
IUPAC Name2-[(3,4-dimethoxyphenyl)methyl]-6-(dipropylamino)-6,7-dihydro-5H-cyclopenta[f]isoindole-1,3-dione
SMILESCCCN(CCC)C1Cc2cc3c(cc2C1)C(=O)N(Cc1ccc(OC)c(OC)c1)C3=O
InChIInChI=1S/C26H32N2O4/c1-5-9-27(10-6-2)20-12-18-14-21-22(15-19(18)13-20)26(30)28(25(21)29)16-17-7-8-23(31-3)24(11-17)32-4/h7-8,11,14-15,20H,5-6,9-10,12-13,16H2,1-4H3
InChIKeyNQPXBQOKXLEICY-UHFFFAOYSA-N
XLogP4.09
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.55
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(3,4-dimethoxyphenyl)methyl]-6-(dipropylamino)-6,7-dihydro-5H-cyclopenta[f]isoindole-1,3-dione?
The IUPAC name of 2-[(3,4-dimethoxyphenyl)methyl]-6-(dipropylamino)-6,7-dihydro-5H-cyclopenta[f]isoindole-1,3-dione (CID 18705833) is 2-[(3,4-dimethoxyphenyl)methyl]-6-(dipropylamino)-6,7-dihydro-5H-cyclopenta[f]isoindole-1,3-dione.
What is the SMILES notation for 2-[(3,4-dimethoxyphenyl)methyl]-6-(dipropylamino)-6,7-dihydro-5H-cyclopenta[f]isoindole-1,3-dione?
The canonical SMILES for 2-[(3,4-dimethoxyphenyl)methyl]-6-(dipropylamino)-6,7-dihydro-5H-cyclopenta[f]isoindole-1,3-dione is CCCN(CCC)C1Cc2cc3c(cc2C1)C(=O)N(Cc1ccc(OC)c(OC)c1)C3=O.
What is the InChIKey of 2-[(3,4-dimethoxyphenyl)methyl]-6-(dipropylamino)-6,7-dihydro-5H-cyclopenta[f]isoindole-1,3-dione?
The InChIKey is NQPXBQOKXLEICY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N2O4/c1-5-9-27(10-6-2)20-12-18-14-21-22(15-19(18)13-20)26(30)28(25(21)29)16-17-7-8-23(31-3)24(11-17)32-4/h7-8,11,14-15,20H,5-6,9-10,12-13,16H2,1-4H3.
What are the key properties of 2-[(3,4-dimethoxyphenyl)methyl]-6-(dipropylamino)-6,7-dihydro-5H-cyclopenta[f]isoindole-1,3-dione?
2-[(3,4-dimethoxyphenyl)methyl]-6-(dipropylamino)-6,7-dihydro-5H-cyclopenta[f]isoindole-1,3-dione has a molecular weight of 436.55 g/mol, XLogP of 4.09, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,4-dimethoxyphenyl)methyl]-6-(dipropylamino)-6,7-dihydro-5H-cyclopenta[f]isoindole-1,3-dione is sourced from PubChem (CID 18705833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).