5-amino-2-[7-(5-amino-1,3-dioxoisoindol-2-yl)heptyl]isoindole-1,3-dione

C23H24N4O4 — CID 4058301

IUPAC5-amino-2-[7-(5-amino-1,3-dioxoisoindol-2-yl)heptyl]isoindole-1,3-dione
SMILESNc1ccc2c(c1)C(=O)N(CCCCCCCN1C(=O)c3ccc(N)cc3C1=O)C2=O
InChIInChI=1S/C23H24N4O4/c24-14-6-8-16-18(12-14)22(30)26(20(16)28)10-4-2-1-3-5-11-27-21(29)17-9-7-15(25)13-19(17)23(27)31/h6-9,12-13H,1-5,10-11,24-25H2
InChIKeyLOUZXKAZDXOTOV-UHFFFAOYSA-N
MW420.47 g/mol
LogP2.69
Rot. Bonds8

About 5-amino-2-[7-(5-amino-1,3-dioxoisoindol-2-yl)heptyl]isoindole-1,3-dione

5-amino-2-[7-(5-amino-1,3-dioxoisoindol-2-yl)heptyl]isoindole-1,3-dione (PubChem CID 4058301) has the molecular formula C23H24N4O4 and a molecular weight of 420.47 g/mol. Its IUPAC name is 5-amino-2-[7-(5-amino-1,3-dioxoisoindol-2-yl)heptyl]isoindole-1,3-dione.

Molecular Properties

Compound Name5-amino-2-[7-(5-amino-1,3-dioxoisoindol-2-yl)heptyl]isoindole-1,3-dione
PubChem CID4058301
Molecular FormulaC23H24N4O4
Molecular Weight420.47 g/mol
Exact Mass420.18
IUPAC Name5-amino-2-[7-(5-amino-1,3-dioxoisoindol-2-yl)heptyl]isoindole-1,3-dione
SMILESNc1ccc2c(c1)C(=O)N(CCCCCCCN1C(=O)c3ccc(N)cc3C1=O)C2=O
InChIInChI=1S/C23H24N4O4/c24-14-6-8-16-18(12-14)22(30)26(20(16)28)10-4-2-1-3-5-11-27-21(29)17-9-7-15(25)13-19(17)23(27)31/h6-9,12-13H,1-5,10-11,24-25H2
InChIKeyLOUZXKAZDXOTOV-UHFFFAOYSA-N
XLogP2.69
TPSA126.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.47
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 5-amino-2-[7-(5-amino-1,3-dioxoisoindol-2-yl)heptyl]isoindole-1,3-dione with MolForge

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Related Compounds

4-Aminophthalimide
CID 72915
5-amino-2-methyl-2,3-dihydro-1H-isoindole-1,3-dione
CID 726931
2-(1,3-Dioxo-1,3-dihydro-isoindol-2-YL)-N-P-tolyl-acetamide
CID 344672
3-(1,3-Dioxo-1,3-dihydro-isoindol-2-yl)-N-o-tolyl-propionamide
CID 721309
2-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)-N-phenylacetamide
CID 223985
2-Butyl-5-nitro-1H-isoindole-1,3(2H)-dione
CID 93297
3-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-N-(3-methylphenyl)propanamide
CID 682204
5-(Dimethylamino)-2-[4-(dimethylamino)phenyl]isoindole-1,3-dione
CID 25270867
1H-Isoindole-1,3(2H)-dione, 5-(dimethylamino)-2-methyl-
CID 657642
2-[2-(2,3-dihydro-1H-indol-1-yl)ethyl]-1H-isoindole-1,3(2H)-dione
CID 660765
4-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-N-phenylbutanamide
CID 744549
2-(2,6-diisopropylphenyl)-5-amino-1H-isoindole-1,3-dione
CID 1235479

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-[7-(5-amino-1,3-dioxoisoindol-2-yl)heptyl]isoindole-1,3-dione?
The IUPAC name of 5-amino-2-[7-(5-amino-1,3-dioxoisoindol-2-yl)heptyl]isoindole-1,3-dione (CID 4058301) is 5-amino-2-[7-(5-amino-1,3-dioxoisoindol-2-yl)heptyl]isoindole-1,3-dione.
What is the SMILES notation for 5-amino-2-[7-(5-amino-1,3-dioxoisoindol-2-yl)heptyl]isoindole-1,3-dione?
The canonical SMILES for 5-amino-2-[7-(5-amino-1,3-dioxoisoindol-2-yl)heptyl]isoindole-1,3-dione is Nc1ccc2c(c1)C(=O)N(CCCCCCCN1C(=O)c3ccc(N)cc3C1=O)C2=O.
What is the InChIKey of 5-amino-2-[7-(5-amino-1,3-dioxoisoindol-2-yl)heptyl]isoindole-1,3-dione?
The InChIKey is LOUZXKAZDXOTOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O4/c24-14-6-8-16-18(12-14)22(30)26(20(16)28)10-4-2-1-3-5-11-27-21(29)17-9-7-15(25)13-19(17)23(27)31/h6-9,12-13H,1-5,10-11,24-25H2.
What are the key properties of 5-amino-2-[7-(5-amino-1,3-dioxoisoindol-2-yl)heptyl]isoindole-1,3-dione?
5-amino-2-[7-(5-amino-1,3-dioxoisoindol-2-yl)heptyl]isoindole-1,3-dione has a molecular weight of 420.47 g/mol, XLogP of 2.69, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-[7-(5-amino-1,3-dioxoisoindol-2-yl)heptyl]isoindole-1,3-dione is sourced from PubChem (CID 4058301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).