5-[(1,3-dioxoisoindol-2-yl)methyl]-2-ethoxy-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide

C25H24N2O5 — CID 31150788

IUPAC5-[(1,3-dioxoisoindol-2-yl)methyl]-2-ethoxy-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide
SMILESCCOc1ccc(CN2C(=O)c3ccccc3C2=O)cc1C(=O)N(C)Cc1ccc(C)o1
InChIInChI=1S/C25H24N2O5/c1-4-31-22-12-10-17(14-27-24(29)19-7-5-6-8-20(19)25(27)30)13-21(22)23(28)26(3)15-18-11-9-16(2)32-18/h5-13H,4,14-15H2,1-3H3
InChIKeyGEVRLGBFYVPTMS-UHFFFAOYSA-N
MW432.48 g/mol
LogP4.06
Rot. Bonds7

About 5-[(1,3-dioxoisoindol-2-yl)methyl]-2-ethoxy-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide

5-[(1,3-dioxoisoindol-2-yl)methyl]-2-ethoxy-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide (PubChem CID 31150788) has the molecular formula C25H24N2O5 and a molecular weight of 432.48 g/mol. Its IUPAC name is 5-[(1,3-dioxoisoindol-2-yl)methyl]-2-ethoxy-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide.

Molecular Properties

Compound Name5-[(1,3-dioxoisoindol-2-yl)methyl]-2-ethoxy-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide
PubChem CID31150788
Molecular FormulaC25H24N2O5
Molecular Weight432.48 g/mol
Exact Mass432.17
IUPAC Name5-[(1,3-dioxoisoindol-2-yl)methyl]-2-ethoxy-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide
SMILESCCOc1ccc(CN2C(=O)c3ccccc3C2=O)cc1C(=O)N(C)Cc1ccc(C)o1
InChIInChI=1S/C25H24N2O5/c1-4-31-22-12-10-17(14-27-24(29)19-7-5-6-8-20(19)25(27)30)13-21(22)23(28)26(3)15-18-11-9-16(2)32-18/h5-13H,4,14-15H2,1-3H3
InChIKeyGEVRLGBFYVPTMS-UHFFFAOYSA-N
XLogP4.06
TPSA80.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.48
LogP ≤ 54.06
H-Bond Donors ≤ 50
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 5-[(1,3-dioxoisoindol-2-yl)methyl]-2-ethoxy-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide?
The IUPAC name of 5-[(1,3-dioxoisoindol-2-yl)methyl]-2-ethoxy-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide (CID 31150788) is 5-[(1,3-dioxoisoindol-2-yl)methyl]-2-ethoxy-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide.
What is the SMILES notation for 5-[(1,3-dioxoisoindol-2-yl)methyl]-2-ethoxy-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide?
The canonical SMILES for 5-[(1,3-dioxoisoindol-2-yl)methyl]-2-ethoxy-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide is CCOc1ccc(CN2C(=O)c3ccccc3C2=O)cc1C(=O)N(C)Cc1ccc(C)o1.
What is the InChIKey of 5-[(1,3-dioxoisoindol-2-yl)methyl]-2-ethoxy-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide?
The InChIKey is GEVRLGBFYVPTMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O5/c1-4-31-22-12-10-17(14-27-24(29)19-7-5-6-8-20(19)25(27)30)13-21(22)23(28)26(3)15-18-11-9-16(2)32-18/h5-13H,4,14-15H2,1-3H3.
What are the key properties of 5-[(1,3-dioxoisoindol-2-yl)methyl]-2-ethoxy-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide?
5-[(1,3-dioxoisoindol-2-yl)methyl]-2-ethoxy-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide has a molecular weight of 432.48 g/mol, XLogP of 4.06, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1,3-dioxoisoindol-2-yl)methyl]-2-ethoxy-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide is sourced from PubChem (CID 31150788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).