2-[2-[16-[2-(1,3-dioxoisoindol-2-yl)acetyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]-2-oxoethyl]isoindole-1,3-dione

C32H36N4O10 — CID 2829028

IUPAC2-[2-[16-[2-(1,3-dioxoisoindol-2-yl)acetyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]-2-oxoethyl]isoindole-1,3-dione
SMILESO=C(CN1C(=O)c2ccccc2C1=O)N1CCOCCOCCN(C(=O)CN2C(=O)c3ccccc3C2=O)CCOCCOCC1
InChIInChI=1S/C32H36N4O10/c37-27(21-35-29(39)23-5-1-2-6-24(23)30(35)40)33-9-13-43-17-19-45-15-11-34(12-16-46-20-18-44-14-10-33)28(38)22-36-31(41)25-7-3-4-8-26(25)32(36)42/h1-8H,9-22H2
InChIKeySOHVBHXZAGQMRX-UHFFFAOYSA-N
MW636.66 g/mol
LogP0.32
Rot. Bonds4

About 2-[2-[16-[2-(1,3-dioxoisoindol-2-yl)acetyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]-2-oxoethyl]isoindole-1,3-dione

2-[2-[16-[2-(1,3-dioxoisoindol-2-yl)acetyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]-2-oxoethyl]isoindole-1,3-dione (PubChem CID 2829028) has the molecular formula C32H36N4O10 and a molecular weight of 636.66 g/mol. Its IUPAC name is 2-[2-[16-[2-(1,3-dioxoisoindol-2-yl)acetyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]-2-oxoethyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[2-[16-[2-(1,3-dioxoisoindol-2-yl)acetyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]-2-oxoethyl]isoindole-1,3-dione
PubChem CID2829028
Molecular FormulaC32H36N4O10
Molecular Weight636.66 g/mol
Exact Mass636.24
IUPAC Name2-[2-[16-[2-(1,3-dioxoisoindol-2-yl)acetyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]-2-oxoethyl]isoindole-1,3-dione
SMILESO=C(CN1C(=O)c2ccccc2C1=O)N1CCOCCOCCN(C(=O)CN2C(=O)c3ccccc3C2=O)CCOCCOCC1
InChIInChI=1S/C32H36N4O10/c37-27(21-35-29(39)23-5-1-2-6-24(23)30(35)40)33-9-13-43-17-19-45-15-11-34(12-16-46-20-18-44-14-10-33)28(38)22-36-31(41)25-7-3-4-8-26(25)32(36)42/h1-8H,9-22H2
InChIKeySOHVBHXZAGQMRX-UHFFFAOYSA-N
XLogP0.32
TPSA152.30 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms46
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500636.66
LogP ≤ 50.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 2-[2-[16-[2-(1,3-dioxoisoindol-2-yl)acetyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]-2-oxoethyl]isoindole-1,3-dione with MolForge

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Related Compounds

2-(2-morpholin-4-yl-2-oxoethyl)-4H-isoquinoline-1,3-dione
CID 17449767
2-(3-morpholin-4-yl-3-oxopropyl)isoindole-1,3-dione
CID 594743
5,6-dichloro-2-(2-morpholin-4-yl-2-oxoethyl)isoindole-1,3-dione
CID 2411932
2-(6-morpholin-4-yl-6-oxohexyl)isoindole-1,3-dione
CID 3620620
1-(2-morpholin-4-yl-2-oxoethyl)benzo[cd]indol-2-one
CID 894146
2-(2-morpholin-4-yl-2-oxoethyl)-1,1-dioxo-1,2-benzothiazol-3-one
CID 736241
2-[2-(3-methylpyrrolidin-1-yl)-2-oxoethyl]isoindole-1,3-dione
CID 110749728
1-[2-(1,3-dioxoisoindol-2-yl)acetyl]-4-hydroxypiperidine-4-carboxylic acid
CID 119251406
2-[2-[4-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)piperazin-1-yl]-2-oxoethyl]isoindole-1,3-dione
CID 122333532
2-[1-[2-(1,3-dioxoisoindol-2-yl)acetyl]piperidin-4-yl]acetic acid
CID 119178372
2-[2-(1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]isoindole-1,3-dione
CID 90510674
3-methylidene-2-(2-oxo-2-pyrrolidin-1-ylethyl)isoindol-1-one
CID 47132389

Frequently Asked Questions

What is the IUPAC name of 2-[2-[16-[2-(1,3-dioxoisoindol-2-yl)acetyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]-2-oxoethyl]isoindole-1,3-dione?
The IUPAC name of 2-[2-[16-[2-(1,3-dioxoisoindol-2-yl)acetyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]-2-oxoethyl]isoindole-1,3-dione (CID 2829028) is 2-[2-[16-[2-(1,3-dioxoisoindol-2-yl)acetyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]-2-oxoethyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[2-[16-[2-(1,3-dioxoisoindol-2-yl)acetyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]-2-oxoethyl]isoindole-1,3-dione?
The canonical SMILES for 2-[2-[16-[2-(1,3-dioxoisoindol-2-yl)acetyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]-2-oxoethyl]isoindole-1,3-dione is O=C(CN1C(=O)c2ccccc2C1=O)N1CCOCCOCCN(C(=O)CN2C(=O)c3ccccc3C2=O)CCOCCOCC1.
What is the InChIKey of 2-[2-[16-[2-(1,3-dioxoisoindol-2-yl)acetyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]-2-oxoethyl]isoindole-1,3-dione?
The InChIKey is SOHVBHXZAGQMRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H36N4O10/c37-27(21-35-29(39)23-5-1-2-6-24(23)30(35)40)33-9-13-43-17-19-45-15-11-34(12-16-46-20-18-44-14-10-33)28(38)22-36-31(41)25-7-3-4-8-26(25)32(36)42/h1-8H,9-22H2.
What are the key properties of 2-[2-[16-[2-(1,3-dioxoisoindol-2-yl)acetyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]-2-oxoethyl]isoindole-1,3-dione?
2-[2-[16-[2-(1,3-dioxoisoindol-2-yl)acetyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]-2-oxoethyl]isoindole-1,3-dione has a molecular weight of 636.66 g/mol, XLogP of 0.32, 4 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[16-[2-(1,3-dioxoisoindol-2-yl)acetyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]-2-oxoethyl]isoindole-1,3-dione is sourced from PubChem (CID 2829028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).