benzhydryl 2-(1,3-dioxoisoindol-2-yl)oxypropanoate

C24H19NO5 — CID 14822259

IUPACbenzhydryl 2-(1,3-dioxoisoindol-2-yl)oxypropanoate
SMILESCC(ON1C(=O)c2ccccc2C1=O)C(=O)OC(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H19NO5/c1-16(30-25-22(26)19-14-8-9-15-20(19)23(25)27)24(28)29-21(17-10-4-2-5-11-17)18-12-6-3-7-13-18/h2-16,21H,1H3
InChIKeySMZPWWZCTUBMFI-UHFFFAOYSA-N
MW401.42 g/mol
LogP3.94
Rot. Bonds6

About benzhydryl 2-(1,3-dioxoisoindol-2-yl)oxypropanoate

benzhydryl 2-(1,3-dioxoisoindol-2-yl)oxypropanoate (PubChem CID 14822259) has the molecular formula C24H19NO5 and a molecular weight of 401.42 g/mol. Its IUPAC name is benzhydryl 2-(1,3-dioxoisoindol-2-yl)oxypropanoate.

Molecular Properties

Compound Namebenzhydryl 2-(1,3-dioxoisoindol-2-yl)oxypropanoate
PubChem CID14822259
Molecular FormulaC24H19NO5
Molecular Weight401.42 g/mol
Exact Mass401.13
IUPAC Namebenzhydryl 2-(1,3-dioxoisoindol-2-yl)oxypropanoate
SMILESCC(ON1C(=O)c2ccccc2C1=O)C(=O)OC(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H19NO5/c1-16(30-25-22(26)19-14-8-9-15-20(19)23(25)27)24(28)29-21(17-10-4-2-5-11-17)18-12-6-3-7-13-18/h2-16,21H,1H3
InChIKeySMZPWWZCTUBMFI-UHFFFAOYSA-N
XLogP3.94
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.42
LogP ≤ 53.94
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

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CID 16090388
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CID 16090401
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CID 16090448
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CID 2935099
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CID 10689394
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CID 2764237
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CID 13577113
CID 13577113

Frequently Asked Questions

What is the IUPAC name of benzhydryl 2-(1,3-dioxoisoindol-2-yl)oxypropanoate?
The IUPAC name of benzhydryl 2-(1,3-dioxoisoindol-2-yl)oxypropanoate (CID 14822259) is benzhydryl 2-(1,3-dioxoisoindol-2-yl)oxypropanoate.
What is the SMILES notation for benzhydryl 2-(1,3-dioxoisoindol-2-yl)oxypropanoate?
The canonical SMILES for benzhydryl 2-(1,3-dioxoisoindol-2-yl)oxypropanoate is CC(ON1C(=O)c2ccccc2C1=O)C(=O)OC(c1ccccc1)c1ccccc1.
What is the InChIKey of benzhydryl 2-(1,3-dioxoisoindol-2-yl)oxypropanoate?
The InChIKey is SMZPWWZCTUBMFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19NO5/c1-16(30-25-22(26)19-14-8-9-15-20(19)23(25)27)24(28)29-21(17-10-4-2-5-11-17)18-12-6-3-7-13-18/h2-16,21H,1H3.
What are the key properties of benzhydryl 2-(1,3-dioxoisoindol-2-yl)oxypropanoate?
benzhydryl 2-(1,3-dioxoisoindol-2-yl)oxypropanoate has a molecular weight of 401.42 g/mol, XLogP of 3.94, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzhydryl 2-(1,3-dioxoisoindol-2-yl)oxypropanoate is sourced from PubChem (CID 14822259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).