(1,3-dioxoisoindol-2-yl)methyl (E)-2-benzamido-3-(furan-2-yl)prop-2-enoate

C23H16N2O6 — CID 2175334

IUPAC(1,3-dioxoisoindol-2-yl)methyl (E)-2-benzamido-3-(furan-2-yl)prop-2-enoate
SMILESO=C(OCN1C(=O)c2ccccc2C1=O)/C(=C\c1ccco1)NC(=O)c1ccccc1
InChIInChI=1S/C23H16N2O6/c26-20(15-7-2-1-3-8-15)24-19(13-16-9-6-12-30-16)23(29)31-14-25-21(27)17-10-4-5-11-18(17)22(25)28/h1-13H,14H2,(H,24,26)/b19-13+
InChIKeyUMJBQPFWMNTKFP-CPNJWEJPSA-N
MW416.39 g/mol
LogP2.85
Rot. Bonds6

About (1,3-dioxoisoindol-2-yl)methyl (E)-2-benzamido-3-(furan-2-yl)prop-2-enoate

(1,3-dioxoisoindol-2-yl)methyl (E)-2-benzamido-3-(furan-2-yl)prop-2-enoate (PubChem CID 2175334) has the molecular formula C23H16N2O6 and a molecular weight of 416.39 g/mol. Its IUPAC name is (1,3-dioxoisoindol-2-yl)methyl (E)-2-benzamido-3-(furan-2-yl)prop-2-enoate.

Molecular Properties

Compound Name(1,3-dioxoisoindol-2-yl)methyl (E)-2-benzamido-3-(furan-2-yl)prop-2-enoate
PubChem CID2175334
Molecular FormulaC23H16N2O6
Molecular Weight416.39 g/mol
Exact Mass416.10
IUPAC Name(1,3-dioxoisoindol-2-yl)methyl (E)-2-benzamido-3-(furan-2-yl)prop-2-enoate
SMILESO=C(OCN1C(=O)c2ccccc2C1=O)/C(=C\c1ccco1)NC(=O)c1ccccc1
InChIInChI=1S/C23H16N2O6/c26-20(15-7-2-1-3-8-15)24-19(13-16-9-6-12-30-16)23(29)31-14-25-21(27)17-10-4-5-11-18(17)22(25)28/h1-13H,14H2,(H,24,26)/b19-13+
InChIKeyUMJBQPFWMNTKFP-CPNJWEJPSA-N
XLogP2.85
TPSA105.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.39
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'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 (E)-2-benzamido-3-(furan-2-yl)prop-2-enoate?
The IUPAC name of (1,3-dioxoisoindol-2-yl)methyl (E)-2-benzamido-3-(furan-2-yl)prop-2-enoate (CID 2175334) is (1,3-dioxoisoindol-2-yl)methyl (E)-2-benzamido-3-(furan-2-yl)prop-2-enoate.
What is the SMILES notation for (1,3-dioxoisoindol-2-yl)methyl (E)-2-benzamido-3-(furan-2-yl)prop-2-enoate?
The canonical SMILES for (1,3-dioxoisoindol-2-yl)methyl (E)-2-benzamido-3-(furan-2-yl)prop-2-enoate is O=C(OCN1C(=O)c2ccccc2C1=O)/C(=C\c1ccco1)NC(=O)c1ccccc1.
What is the InChIKey of (1,3-dioxoisoindol-2-yl)methyl (E)-2-benzamido-3-(furan-2-yl)prop-2-enoate?
The InChIKey is UMJBQPFWMNTKFP-CPNJWEJPSA-N. The full InChI is InChI=1S/C23H16N2O6/c26-20(15-7-2-1-3-8-15)24-19(13-16-9-6-12-30-16)23(29)31-14-25-21(27)17-10-4-5-11-18(17)22(25)28/h1-13H,14H2,(H,24,26)/b19-13+.
What are the key properties of (1,3-dioxoisoindol-2-yl)methyl (E)-2-benzamido-3-(furan-2-yl)prop-2-enoate?
(1,3-dioxoisoindol-2-yl)methyl (E)-2-benzamido-3-(furan-2-yl)prop-2-enoate has a molecular weight of 416.39 g/mol, XLogP of 2.85, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1,3-dioxoisoindol-2-yl)methyl (E)-2-benzamido-3-(furan-2-yl)prop-2-enoate is sourced from PubChem (CID 2175334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).