(1,3-dioxoisoindol-2-yl)methyl 2-benzamidoacetate

C18H14N2O5 — CID 7034975

IUPAC(1,3-dioxoisoindol-2-yl)methyl 2-benzamidoacetate
SMILESO=C(CNC(=O)c1ccccc1)OCN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C18H14N2O5/c21-15(10-19-16(22)12-6-2-1-3-7-12)25-11-20-17(23)13-8-4-5-9-14(13)18(20)24/h1-9H,10-11H2,(H,19,22)
InChIKeyNWOHZIOJUBVDMQ-UHFFFAOYSA-N
MW338.32 g/mol
LogP1.21
Rot. Bonds5

About (1,3-dioxoisoindol-2-yl)methyl 2-benzamidoacetate

(1,3-dioxoisoindol-2-yl)methyl 2-benzamidoacetate (PubChem CID 7034975) has the molecular formula C18H14N2O5 and a molecular weight of 338.32 g/mol. Its IUPAC name is (1,3-dioxoisoindol-2-yl)methyl 2-benzamidoacetate.

Molecular Properties

Compound Name(1,3-dioxoisoindol-2-yl)methyl 2-benzamidoacetate
PubChem CID7034975
Molecular FormulaC18H14N2O5
Molecular Weight338.32 g/mol
Exact Mass338.09
IUPAC Name(1,3-dioxoisoindol-2-yl)methyl 2-benzamidoacetate
SMILESO=C(CNC(=O)c1ccccc1)OCN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C18H14N2O5/c21-15(10-19-16(22)12-6-2-1-3-7-12)25-11-20-17(23)13-8-4-5-9-14(13)18(20)24/h1-9H,10-11H2,(H,19,22)
InChIKeyNWOHZIOJUBVDMQ-UHFFFAOYSA-N
XLogP1.21
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.32
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1,3-dioxoisoindol-2-yl)methyl 2-benzamidoacetate?
The IUPAC name of (1,3-dioxoisoindol-2-yl)methyl 2-benzamidoacetate (CID 7034975) is (1,3-dioxoisoindol-2-yl)methyl 2-benzamidoacetate.
What is the SMILES notation for (1,3-dioxoisoindol-2-yl)methyl 2-benzamidoacetate?
The canonical SMILES for (1,3-dioxoisoindol-2-yl)methyl 2-benzamidoacetate is O=C(CNC(=O)c1ccccc1)OCN1C(=O)c2ccccc2C1=O.
What is the InChIKey of (1,3-dioxoisoindol-2-yl)methyl 2-benzamidoacetate?
The InChIKey is NWOHZIOJUBVDMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O5/c21-15(10-19-16(22)12-6-2-1-3-7-12)25-11-20-17(23)13-8-4-5-9-14(13)18(20)24/h1-9H,10-11H2,(H,19,22).
What are the key properties of (1,3-dioxoisoindol-2-yl)methyl 2-benzamidoacetate?
(1,3-dioxoisoindol-2-yl)methyl 2-benzamidoacetate has a molecular weight of 338.32 g/mol, XLogP of 1.21, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1,3-dioxoisoindol-2-yl)methyl 2-benzamidoacetate is sourced from PubChem (CID 7034975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).