2-[(2R)-1-oxo-1-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)butan-2-yl]isoindole-1,3-dione

C22H30N2O7 — CID 40632030

IUPAC2-[(2R)-1-oxo-1-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)butan-2-yl]isoindole-1,3-dione
SMILESCC[C@H](C(=O)N1CCOCCOCCOCCOCC1)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C22H30N2O7/c1-2-19(24-20(25)17-5-3-4-6-18(17)21(24)26)22(27)23-7-9-28-11-13-30-15-16-31-14-12-29-10-8-23/h3-6,19H,2,7-16H2,1H3/t19-/m1/s1
InChIKeyZOXYYEJYMDIBLX-LJQANCHMSA-N
MW434.49 g/mol
LogP0.97
Rot. Bonds3

About 2-[(2R)-1-oxo-1-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)butan-2-yl]isoindole-1,3-dione

2-[(2R)-1-oxo-1-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)butan-2-yl]isoindole-1,3-dione (PubChem CID 40632030) has the molecular formula C22H30N2O7 and a molecular weight of 434.49 g/mol. Its IUPAC name is 2-[(2R)-1-oxo-1-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)butan-2-yl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[(2R)-1-oxo-1-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)butan-2-yl]isoindole-1,3-dione
PubChem CID40632030
Molecular FormulaC22H30N2O7
Molecular Weight434.49 g/mol
Exact Mass434.21
IUPAC Name2-[(2R)-1-oxo-1-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)butan-2-yl]isoindole-1,3-dione
SMILESCC[C@H](C(=O)N1CCOCCOCCOCCOCC1)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C22H30N2O7/c1-2-19(24-20(25)17-5-3-4-6-18(17)21(24)26)22(27)23-7-9-28-11-13-30-15-16-31-14-12-29-10-8-23/h3-6,19H,2,7-16H2,1H3/t19-/m1/s1
InChIKeyZOXYYEJYMDIBLX-LJQANCHMSA-N
XLogP0.97
TPSA94.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.49
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-[(2R)-1-[13-[(2S)-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoyl]-1,4,10-trioxa-7,13-diazacyclopentadec-7-yl]-1-oxo-3-phenylpropan-2-yl]isoindole-1,3-dione
CID 99655465
2-[(2R)-1-[13-[(2R)-2-(1,3-dioxoisoindol-2-yl)propanoyl]-1,4,10-trioxa-7,13-diazacyclopentadec-7-yl]-1-oxopropan-2-yl]isoindole-1,3-dione
CID 7073934
2-[(2R,3R)-1-[10-[(2R,3S)-2-(1,3-dioxoisoindol-2-yl)-3-methylpentanoyl]-1,7-dioxa-4,10-diazacyclododec-4-yl]-3-methyl-1-oxopentan-2-yl]isoindole-1,3-dione
CID 7073947
2-[(2S)-4-methyl-1-oxo-1-piperidin-1-ylpentan-2-yl]isoindole-1,3-dione
CID 740431
methyl 2-(1,3-dioxoisoindol-2-yl)-3-morpholin-4-ylpropanoate
CID 54490539
(2S)-1-morpholin-4-yl-2-phenylbutan-1-one
CID 670056
2-[(2R)-4-methyl-1-morpholin-4-yl-1-oxopentan-2-yl]-3H-isoindol-1-one
CID 40542427
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
2-[1-(azepan-1-yl)-1-oxo-3-phenylpropan-2-yl]isoindole-1,3-dione
CID 2856106
2-[(2S)-1-(azepan-1-yl)-1-oxo-3-phenylpropan-2-yl]isoindole-1,3-dione
CID 1167505
(2S,4S)-2-amino-4-(1,3-dioxoisoindol-2-yl)-2-ethyl-3-oxohexanoyl chloride
CID 139910601
2-(4-methylsulfonyl-1-morpholin-4-yl-1-oxobutan-2-yl)-3H-isoindol-1-one
CID 20905838

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-1-oxo-1-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)butan-2-yl]isoindole-1,3-dione?
The IUPAC name of 2-[(2R)-1-oxo-1-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)butan-2-yl]isoindole-1,3-dione (CID 40632030) is 2-[(2R)-1-oxo-1-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)butan-2-yl]isoindole-1,3-dione.
What is the SMILES notation for 2-[(2R)-1-oxo-1-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)butan-2-yl]isoindole-1,3-dione?
The canonical SMILES for 2-[(2R)-1-oxo-1-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)butan-2-yl]isoindole-1,3-dione is CC[C@H](C(=O)N1CCOCCOCCOCCOCC1)N1C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-[(2R)-1-oxo-1-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)butan-2-yl]isoindole-1,3-dione?
The InChIKey is ZOXYYEJYMDIBLX-LJQANCHMSA-N. The full InChI is InChI=1S/C22H30N2O7/c1-2-19(24-20(25)17-5-3-4-6-18(17)21(24)26)22(27)23-7-9-28-11-13-30-15-16-31-14-12-29-10-8-23/h3-6,19H,2,7-16H2,1H3/t19-/m1/s1.
What are the key properties of 2-[(2R)-1-oxo-1-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)butan-2-yl]isoindole-1,3-dione?
2-[(2R)-1-oxo-1-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)butan-2-yl]isoindole-1,3-dione has a molecular weight of 434.49 g/mol, XLogP of 0.97, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-1-oxo-1-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)butan-2-yl]isoindole-1,3-dione is sourced from PubChem (CID 40632030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).