2-[(2S)-1-[(2S)-2-(1,3-dioxoisoindol-2-yl)-3-methylbutoxy]-3-methylbutan-2-yl]isoindole-1,3-dione

C26H28N2O5 — CID 10388968

IUPAC2-[(2S)-1-[(2S)-2-(1,3-dioxoisoindol-2-yl)-3-methylbutoxy]-3-methylbutan-2-yl]isoindole-1,3-dione
SMILESCC(C)[C@@H](COC[C@H](C(C)C)N1C(=O)c2ccccc2C1=O)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C26H28N2O5/c1-15(2)21(27-23(29)17-9-5-6-10-18(17)24(27)30)13-33-14-22(16(3)4)28-25(31)19-11-7-8-12-20(19)26(28)32/h5-12,15-16,21-22H,13-14H2,1-4H3/t21-,22-/m1/s1
InChIKeyRIVJCCKTGAQUEW-FGZHOGPDSA-N
MW448.52 g/mol
LogP3.64
Rot. Bonds8

About 2-[(2S)-1-[(2S)-2-(1,3-dioxoisoindol-2-yl)-3-methylbutoxy]-3-methylbutan-2-yl]isoindole-1,3-dione

2-[(2S)-1-[(2S)-2-(1,3-dioxoisoindol-2-yl)-3-methylbutoxy]-3-methylbutan-2-yl]isoindole-1,3-dione (PubChem CID 10388968) has the molecular formula C26H28N2O5 and a molecular weight of 448.52 g/mol. Its IUPAC name is 2-[(2S)-1-[(2S)-2-(1,3-dioxoisoindol-2-yl)-3-methylbutoxy]-3-methylbutan-2-yl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[(2S)-1-[(2S)-2-(1,3-dioxoisoindol-2-yl)-3-methylbutoxy]-3-methylbutan-2-yl]isoindole-1,3-dione
PubChem CID10388968
Molecular FormulaC26H28N2O5
Molecular Weight448.52 g/mol
Exact Mass448.20
IUPAC Name2-[(2S)-1-[(2S)-2-(1,3-dioxoisoindol-2-yl)-3-methylbutoxy]-3-methylbutan-2-yl]isoindole-1,3-dione
SMILESCC(C)[C@@H](COC[C@H](C(C)C)N1C(=O)c2ccccc2C1=O)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C26H28N2O5/c1-15(2)21(27-23(29)17-9-5-6-10-18(17)24(27)30)13-33-14-22(16(3)4)28-25(31)19-11-7-8-12-20(19)26(28)32/h5-12,15-16,21-22H,13-14H2,1-4H3/t21-,22-/m1/s1
InChIKeyRIVJCCKTGAQUEW-FGZHOGPDSA-N
XLogP3.64
TPSA83.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.52
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(3R)-3-(1,3-dioxoisoindol-2-yl)-4-methylpentanoic acid
CID 46895638
2-[(2R,4R)-4-(1,3-dioxoisoindol-2-yl)pentan-2-yl]isoindole-1,3-dione
CID 100990759
CID 163871249
CID 163871249
2-(1-hydroxy-3-methylbutan-2-yl)-4H-isoquinoline-1,3-dione
CID 79244253
[2-(1,3-dioxobenzo[de]isoquinolin-2-yl)-3-methylbutyl] prop-2-enoate
CID 59769103
2-[(2R)-pentan-2-yl]isoindole-1,3-dione
CID 10512957
2-[2-methyl-1-(2-methylphenyl)propyl]isoindole-1,3-dione
CID 121475898
2-[(1S)-1-phenylethyl]isoindole-1,3-dione
CID 792943
2-[(2R)-1-phenylpropan-2-yl]isoindole-1,3-dione
CID 1121128
2-(2,5-dimethyl-4-oxohexan-3-yl)isoindole-1,3-dione
CID 70891240
methyl 2-amino-3-[(2R)-2-(1,3-dioxoisoindol-2-yl)-3-methoxy-3-oxopropoxy]propanoate
CID 144998859
(2R,3S)-2-(1,3-dioxoisoindol-2-yl)-3-methylpentanoic acid
CID 774771

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-1-[(2S)-2-(1,3-dioxoisoindol-2-yl)-3-methylbutoxy]-3-methylbutan-2-yl]isoindole-1,3-dione?
The IUPAC name of 2-[(2S)-1-[(2S)-2-(1,3-dioxoisoindol-2-yl)-3-methylbutoxy]-3-methylbutan-2-yl]isoindole-1,3-dione (CID 10388968) is 2-[(2S)-1-[(2S)-2-(1,3-dioxoisoindol-2-yl)-3-methylbutoxy]-3-methylbutan-2-yl]isoindole-1,3-dione.
What is the SMILES notation for 2-[(2S)-1-[(2S)-2-(1,3-dioxoisoindol-2-yl)-3-methylbutoxy]-3-methylbutan-2-yl]isoindole-1,3-dione?
The canonical SMILES for 2-[(2S)-1-[(2S)-2-(1,3-dioxoisoindol-2-yl)-3-methylbutoxy]-3-methylbutan-2-yl]isoindole-1,3-dione is CC(C)[C@@H](COC[C@H](C(C)C)N1C(=O)c2ccccc2C1=O)N1C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-[(2S)-1-[(2S)-2-(1,3-dioxoisoindol-2-yl)-3-methylbutoxy]-3-methylbutan-2-yl]isoindole-1,3-dione?
The InChIKey is RIVJCCKTGAQUEW-FGZHOGPDSA-N. The full InChI is InChI=1S/C26H28N2O5/c1-15(2)21(27-23(29)17-9-5-6-10-18(17)24(27)30)13-33-14-22(16(3)4)28-25(31)19-11-7-8-12-20(19)26(28)32/h5-12,15-16,21-22H,13-14H2,1-4H3/t21-,22-/m1/s1.
What are the key properties of 2-[(2S)-1-[(2S)-2-(1,3-dioxoisoindol-2-yl)-3-methylbutoxy]-3-methylbutan-2-yl]isoindole-1,3-dione?
2-[(2S)-1-[(2S)-2-(1,3-dioxoisoindol-2-yl)-3-methylbutoxy]-3-methylbutan-2-yl]isoindole-1,3-dione has a molecular weight of 448.52 g/mol, XLogP of 3.64, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-1-[(2S)-2-(1,3-dioxoisoindol-2-yl)-3-methylbutoxy]-3-methylbutan-2-yl]isoindole-1,3-dione is sourced from PubChem (CID 10388968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).