2-(4-ethoxyphenyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]-1,3-dioxoisoindole-5-carboxamide

C24H22N2O5 — CID 31799385

IUPAC2-(4-ethoxyphenyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]-1,3-dioxoisoindole-5-carboxamide
SMILESCCOc1ccc(N2C(=O)c3ccc(C(=O)N(C)Cc4ccc(C)o4)cc3C2=O)cc1
InChIInChI=1S/C24H22N2O5/c1-4-30-18-10-7-17(8-11-18)26-23(28)20-12-6-16(13-21(20)24(26)29)22(27)25(3)14-19-9-5-15(2)31-19/h5-13H,4,14H2,1-3H3
InChIKeyVHUFZFBQGCDRND-UHFFFAOYSA-N
MW418.45 g/mol
LogP4.06
Rot. Bonds6

About 2-(4-ethoxyphenyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]-1,3-dioxoisoindole-5-carboxamide

2-(4-ethoxyphenyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]-1,3-dioxoisoindole-5-carboxamide (PubChem CID 31799385) has the molecular formula C24H22N2O5 and a molecular weight of 418.45 g/mol. Its IUPAC name is 2-(4-ethoxyphenyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]-1,3-dioxoisoindole-5-carboxamide.

Molecular Properties

Compound Name2-(4-ethoxyphenyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]-1,3-dioxoisoindole-5-carboxamide
PubChem CID31799385
Molecular FormulaC24H22N2O5
Molecular Weight418.45 g/mol
Exact Mass418.15
IUPAC Name2-(4-ethoxyphenyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]-1,3-dioxoisoindole-5-carboxamide
SMILESCCOc1ccc(N2C(=O)c3ccc(C(=O)N(C)Cc4ccc(C)o4)cc3C2=O)cc1
InChIInChI=1S/C24H22N2O5/c1-4-30-18-10-7-17(8-11-18)26-23(28)20-12-6-16(13-21(20)24(26)29)22(27)25(3)14-19-9-5-15(2)31-19/h5-13H,4,14H2,1-3H3
InChIKeyVHUFZFBQGCDRND-UHFFFAOYSA-N
XLogP4.06
TPSA80.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.45
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 2-(4-ethoxyphenyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]-1,3-dioxoisoindole-5-carboxamide?
The IUPAC name of 2-(4-ethoxyphenyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]-1,3-dioxoisoindole-5-carboxamide (CID 31799385) is 2-(4-ethoxyphenyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]-1,3-dioxoisoindole-5-carboxamide.
What is the SMILES notation for 2-(4-ethoxyphenyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]-1,3-dioxoisoindole-5-carboxamide?
The canonical SMILES for 2-(4-ethoxyphenyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]-1,3-dioxoisoindole-5-carboxamide is CCOc1ccc(N2C(=O)c3ccc(C(=O)N(C)Cc4ccc(C)o4)cc3C2=O)cc1.
What is the InChIKey of 2-(4-ethoxyphenyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]-1,3-dioxoisoindole-5-carboxamide?
The InChIKey is VHUFZFBQGCDRND-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O5/c1-4-30-18-10-7-17(8-11-18)26-23(28)20-12-6-16(13-21(20)24(26)29)22(27)25(3)14-19-9-5-15(2)31-19/h5-13H,4,14H2,1-3H3.
What are the key properties of 2-(4-ethoxyphenyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]-1,3-dioxoisoindole-5-carboxamide?
2-(4-ethoxyphenyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]-1,3-dioxoisoindole-5-carboxamide has a molecular weight of 418.45 g/mol, XLogP of 4.06, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyphenyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]-1,3-dioxoisoindole-5-carboxamide is sourced from PubChem (CID 31799385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).