3-[(3aR,7aR)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-(9H-fluoren-2-yl)propanamide

C24H24N2O3 — CID 51553728

IUPAC3-[(3aR,7aR)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-(9H-fluoren-2-yl)propanamide
SMILESO=C(CCN1C(=O)[C@@H]2CCCC[C@H]2C1=O)Nc1ccc2c(c1)Cc1ccccc1-2
InChIInChI=1S/C24H24N2O3/c27-22(11-12-26-23(28)20-7-3-4-8-21(20)24(26)29)25-17-9-10-19-16(14-17)13-15-5-1-2-6-18(15)19/h1-2,5-6,9-10,14,20-21H,3-4,7-8,11-13H2,(H,25,27)/t20-,21-/m1/s1
InChIKeyQAKDEVQUYGZHTO-NHCUHLMSSA-N
MW388.47 g/mol
LogP3.76
Rot. Bonds4

About 3-[(3aR,7aR)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-(9H-fluoren-2-yl)propanamide

3-[(3aR,7aR)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-(9H-fluoren-2-yl)propanamide (PubChem CID 51553728) has the molecular formula C24H24N2O3 and a molecular weight of 388.47 g/mol. Its IUPAC name is 3-[(3aR,7aR)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-(9H-fluoren-2-yl)propanamide.

Molecular Properties

Compound Name3-[(3aR,7aR)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-(9H-fluoren-2-yl)propanamide
PubChem CID51553728
Molecular FormulaC24H24N2O3
Molecular Weight388.47 g/mol
Exact Mass388.18
IUPAC Name3-[(3aR,7aR)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-(9H-fluoren-2-yl)propanamide
SMILESO=C(CCN1C(=O)[C@@H]2CCCC[C@H]2C1=O)Nc1ccc2c(c1)Cc1ccccc1-2
InChIInChI=1S/C24H24N2O3/c27-22(11-12-26-23(28)20-7-3-4-8-21(20)24(26)29)25-17-9-10-19-16(14-17)13-15-5-1-2-6-18(15)19/h1-2,5-6,9-10,14,20-21H,3-4,7-8,11-13H2,(H,25,27)/t20-,21-/m1/s1
InChIKeyQAKDEVQUYGZHTO-NHCUHLMSSA-N
XLogP3.76
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-[3-(1,3-dioxoisoindol-2-yl)phenyl]propanamide
CID 56508213
3-[(3aR,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-(3,4-dichlorophenyl)propanamide
CID 8759908
3-[(3aS,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-(3-acetamidophenyl)propanamide
CID 2666380
3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(9H-fluoren-2-yl)propanamide
CID 26783736
2-(1,3-dioxoisoindol-2-yl)-N-(9H-fluoren-2-yl)acetamide
CID 24637025
3-[(3aR,7aR)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-(4-acetamidophenyl)propanamide
CID 2583117
3-[3-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)propanoylamino]benzamide
CID 42907943
3-[(3aR,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-(3-ethylphenyl)propanamide
CID 2591705
3-[(3aS,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-[4-(azepan-1-yl)phenyl]propanamide
CID 9115899
3-[(3aR,7aR)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-(3-methylsulfanylphenyl)propanamide
CID 2665766
3-[(3aS,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-(3-methylsulfanylphenyl)propanamide
CID 2665765
4-[3-[(3aS,7aR)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]propanoylamino]benzamide
CID 2710787

Frequently Asked Questions

What is the IUPAC name of 3-[(3aR,7aR)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-(9H-fluoren-2-yl)propanamide?
The IUPAC name of 3-[(3aR,7aR)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-(9H-fluoren-2-yl)propanamide (CID 51553728) is 3-[(3aR,7aR)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-(9H-fluoren-2-yl)propanamide.
What is the SMILES notation for 3-[(3aR,7aR)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-(9H-fluoren-2-yl)propanamide?
The canonical SMILES for 3-[(3aR,7aR)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-(9H-fluoren-2-yl)propanamide is O=C(CCN1C(=O)[C@@H]2CCCC[C@H]2C1=O)Nc1ccc2c(c1)Cc1ccccc1-2.
What is the InChIKey of 3-[(3aR,7aR)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-(9H-fluoren-2-yl)propanamide?
The InChIKey is QAKDEVQUYGZHTO-NHCUHLMSSA-N. The full InChI is InChI=1S/C24H24N2O3/c27-22(11-12-26-23(28)20-7-3-4-8-21(20)24(26)29)25-17-9-10-19-16(14-17)13-15-5-1-2-6-18(15)19/h1-2,5-6,9-10,14,20-21H,3-4,7-8,11-13H2,(H,25,27)/t20-,21-/m1/s1.
What are the key properties of 3-[(3aR,7aR)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-(9H-fluoren-2-yl)propanamide?
3-[(3aR,7aR)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-(9H-fluoren-2-yl)propanamide has a molecular weight of 388.47 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3aR,7aR)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-(9H-fluoren-2-yl)propanamide is sourced from PubChem (CID 51553728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).