2-[[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxycyclobutyl]-propan-2-ylamino]acetaldehyde

C22H25N3O6 — CID 165371630

IUPAC2-[[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxycyclobutyl]-propan-2-ylamino]acetaldehyde
SMILESCC(C)N(CC=O)C1CC(Oc2ccc3c(c2)C(=O)N(C2CCC(=O)NC2=O)C3=O)C1
InChIInChI=1S/C22H25N3O6/c1-12(2)24(7-8-26)13-9-15(10-13)31-14-3-4-16-17(11-14)22(30)25(21(16)29)18-5-6-19(27)23-20(18)28/h3-4,8,11-13,15,18H,5-7,9-10H2,1-2H3,(H,23,27,28)
InChIKeyDCDPGAHXKJETEG-UHFFFAOYSA-N
MW427.46 g/mol
LogP0.91
Rot. Bonds7

About 2-[[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxycyclobutyl]-propan-2-ylamino]acetaldehyde

2-[[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxycyclobutyl]-propan-2-ylamino]acetaldehyde (PubChem CID 165371630) has the molecular formula C22H25N3O6 and a molecular weight of 427.46 g/mol. Its IUPAC name is 2-[[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxycyclobutyl]-propan-2-ylamino]acetaldehyde.

Molecular Properties

Compound Name2-[[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxycyclobutyl]-propan-2-ylamino]acetaldehyde
PubChem CID165371630
Molecular FormulaC22H25N3O6
Molecular Weight427.46 g/mol
Exact Mass427.17
IUPAC Name2-[[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxycyclobutyl]-propan-2-ylamino]acetaldehyde
SMILESCC(C)N(CC=O)C1CC(Oc2ccc3c(c2)C(=O)N(C2CCC(=O)NC2=O)C3=O)C1
InChIInChI=1S/C22H25N3O6/c1-12(2)24(7-8-26)13-9-15(10-13)31-14-3-4-16-17(11-14)22(30)25(21(16)29)18-5-6-19(27)23-20(18)28/h3-4,8,11-13,15,18H,5-7,9-10H2,1-2H3,(H,23,27,28)
InChIKeyDCDPGAHXKJETEG-UHFFFAOYSA-N
XLogP0.91
TPSA113.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.46
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-(2,6-dioxopiperidin-3-yl)-5-(3-ethenylcyclobutyl)oxyisoindole-1,3-dione
CID 166769077
5-(4-aminocyclohexyl)oxy-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 176816727
5-[3-(2,2-difluorobutoxy)cyclobutyl]oxy-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 167691108
8-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxyoctanal
CID 170704041
5-[5-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxypentoxy]pentanal
CID 134489138
2-(2,6-dioxopiperidin-3-yl)-5-[(2R)-2-methylbutoxy]isoindole-1,3-dione
CID 156729159
5-[3-(2,2-difluoro-3-hydroxypropoxy)cyclobutyl]oxy-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 165371283
5-(2-chloroethoxy)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 135147131
2-(2,6-dioxopiperidin-3-yl)-5-[(1S,3R)-3-(4-methoxypiperazin-1-yl)cyclopentyl]oxyisoindole-1,3-dione
CID 134441108
2-(2,6-dioxopiperidin-3-yl)-5-[4-(ethylamino)phenoxy]isoindole-1,3-dione
CID 174183634
2-(2,6-dioxopiperidin-3-yl)-5-[5-(methylamino)pentoxy]isoindole-1,3-dione;hydrochloride
CID 166064297
4-[4-[5-[4-[[[3-[2-[(3R)-2,6-dioxopiperidin-3-yl]-1,3-dioxoisoindol-5-yl]oxycyclobutyl]-propan-2-ylamino]methyl]piperidin-1-yl]-2H-pyrazin-1-yl]cyclohexyl]oxy-2,6-dimethylbenzonitrile
CID 175856370

Frequently Asked Questions

What is the IUPAC name of 2-[[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxycyclobutyl]-propan-2-ylamino]acetaldehyde?
The IUPAC name of 2-[[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxycyclobutyl]-propan-2-ylamino]acetaldehyde (CID 165371630) is 2-[[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxycyclobutyl]-propan-2-ylamino]acetaldehyde.
What is the SMILES notation for 2-[[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxycyclobutyl]-propan-2-ylamino]acetaldehyde?
The canonical SMILES for 2-[[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxycyclobutyl]-propan-2-ylamino]acetaldehyde is CC(C)N(CC=O)C1CC(Oc2ccc3c(c2)C(=O)N(C2CCC(=O)NC2=O)C3=O)C1.
What is the InChIKey of 2-[[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxycyclobutyl]-propan-2-ylamino]acetaldehyde?
The InChIKey is DCDPGAHXKJETEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O6/c1-12(2)24(7-8-26)13-9-15(10-13)31-14-3-4-16-17(11-14)22(30)25(21(16)29)18-5-6-19(27)23-20(18)28/h3-4,8,11-13,15,18H,5-7,9-10H2,1-2H3,(H,23,27,28).
What are the key properties of 2-[[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxycyclobutyl]-propan-2-ylamino]acetaldehyde?
2-[[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxycyclobutyl]-propan-2-ylamino]acetaldehyde has a molecular weight of 427.46 g/mol, XLogP of 0.91, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxycyclobutyl]-propan-2-ylamino]acetaldehyde is sourced from PubChem (CID 165371630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).