(1,3-dioxoisoindol-2-yl)methyl N-phenylcarbamate

C16H12N2O4 — CID 680704

IUPAC(1,3-dioxoisoindol-2-yl)methyl N-phenylcarbamate
SMILESO=C(Nc1ccccc1)OCN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C16H12N2O4/c19-14-12-8-4-5-9-13(12)15(20)18(14)10-22-16(21)17-11-6-2-1-3-7-11/h1-9H,10H2,(H,17,21)
InChIKeyAGMPJZYPPHOWNP-UHFFFAOYSA-N
MW296.28 g/mol
LogP2.49
Rot. Bonds3

About (1,3-dioxoisoindol-2-yl)methyl N-phenylcarbamate

(1,3-dioxoisoindol-2-yl)methyl N-phenylcarbamate (PubChem CID 680704) has the molecular formula C16H12N2O4 and a molecular weight of 296.28 g/mol. Its IUPAC name is (1,3-dioxoisoindol-2-yl)methyl N-phenylcarbamate.

Molecular Properties

Compound Name(1,3-dioxoisoindol-2-yl)methyl N-phenylcarbamate
PubChem CID680704
Molecular FormulaC16H12N2O4
Molecular Weight296.28 g/mol
Exact Mass296.08
IUPAC Name(1,3-dioxoisoindol-2-yl)methyl N-phenylcarbamate
SMILESO=C(Nc1ccccc1)OCN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C16H12N2O4/c19-14-12-8-4-5-9-13(12)15(20)18(14)10-22-16(21)17-11-6-2-1-3-7-11/h1-9H,10H2,(H,17,21)
InChIKeyAGMPJZYPPHOWNP-UHFFFAOYSA-N
XLogP2.49
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.28
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 N-phenylcarbamate?
The IUPAC name of (1,3-dioxoisoindol-2-yl)methyl N-phenylcarbamate (CID 680704) is (1,3-dioxoisoindol-2-yl)methyl N-phenylcarbamate.
What is the SMILES notation for (1,3-dioxoisoindol-2-yl)methyl N-phenylcarbamate?
The canonical SMILES for (1,3-dioxoisoindol-2-yl)methyl N-phenylcarbamate is O=C(Nc1ccccc1)OCN1C(=O)c2ccccc2C1=O.
What is the InChIKey of (1,3-dioxoisoindol-2-yl)methyl N-phenylcarbamate?
The InChIKey is AGMPJZYPPHOWNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O4/c19-14-12-8-4-5-9-13(12)15(20)18(14)10-22-16(21)17-11-6-2-1-3-7-11/h1-9H,10H2,(H,17,21).
What are the key properties of (1,3-dioxoisoindol-2-yl)methyl N-phenylcarbamate?
(1,3-dioxoisoindol-2-yl)methyl N-phenylcarbamate has a molecular weight of 296.28 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1,3-dioxoisoindol-2-yl)methyl N-phenylcarbamate is sourced from PubChem (CID 680704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).