2-[3-(1,3-benzodioxol-5-ylmethyl)-1-(4-methoxyphenyl)-2,5-dioxoimidazolidin-4-yl]-N-phenylacetamide

C26H23N3O6 — CID 3245480

IUPAC2-[3-(1,3-benzodioxol-5-ylmethyl)-1-(4-methoxyphenyl)-2,5-dioxoimidazolidin-4-yl]-N-phenylacetamide
SMILESCOc1ccc(N2C(=O)C(CC(=O)Nc3ccccc3)N(Cc3ccc4c(c3)OCO4)C2=O)cc1
InChIInChI=1S/C26H23N3O6/c1-33-20-10-8-19(9-11-20)29-25(31)21(14-24(30)27-18-5-3-2-4-6-18)28(26(29)32)15-17-7-12-22-23(13-17)35-16-34-22/h2-13,21H,14-16H2,1H3,(H,27,30)
InChIKeyYKUXZIIWJSABPN-UHFFFAOYSA-N
MW473.49 g/mol
LogP3.79
Rot. Bonds7

About 2-[3-(1,3-benzodioxol-5-ylmethyl)-1-(4-methoxyphenyl)-2,5-dioxoimidazolidin-4-yl]-N-phenylacetamide

2-[3-(1,3-benzodioxol-5-ylmethyl)-1-(4-methoxyphenyl)-2,5-dioxoimidazolidin-4-yl]-N-phenylacetamide (PubChem CID 3245480) has the molecular formula C26H23N3O6 and a molecular weight of 473.49 g/mol. Its IUPAC name is 2-[3-(1,3-benzodioxol-5-ylmethyl)-1-(4-methoxyphenyl)-2,5-dioxoimidazolidin-4-yl]-N-phenylacetamide.

Molecular Properties

Compound Name2-[3-(1,3-benzodioxol-5-ylmethyl)-1-(4-methoxyphenyl)-2,5-dioxoimidazolidin-4-yl]-N-phenylacetamide
PubChem CID3245480
Molecular FormulaC26H23N3O6
Molecular Weight473.49 g/mol
Exact Mass473.16
IUPAC Name2-[3-(1,3-benzodioxol-5-ylmethyl)-1-(4-methoxyphenyl)-2,5-dioxoimidazolidin-4-yl]-N-phenylacetamide
SMILESCOc1ccc(N2C(=O)C(CC(=O)Nc3ccccc3)N(Cc3ccc4c(c3)OCO4)C2=O)cc1
InChIInChI=1S/C26H23N3O6/c1-33-20-10-8-19(9-11-20)29-25(31)21(14-24(30)27-18-5-3-2-4-6-18)28(26(29)32)15-17-7-12-22-23(13-17)35-16-34-22/h2-13,21H,14-16H2,1H3,(H,27,30)
InChIKeyYKUXZIIWJSABPN-UHFFFAOYSA-N
XLogP3.79
TPSA97.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.49
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(1,3-benzodioxol-5-ylmethyl)-1-(4-methoxyphenyl)-2,5-dioxoimidazolidin-4-yl]-N-phenylacetamide?
The IUPAC name of 2-[3-(1,3-benzodioxol-5-ylmethyl)-1-(4-methoxyphenyl)-2,5-dioxoimidazolidin-4-yl]-N-phenylacetamide (CID 3245480) is 2-[3-(1,3-benzodioxol-5-ylmethyl)-1-(4-methoxyphenyl)-2,5-dioxoimidazolidin-4-yl]-N-phenylacetamide.
What is the SMILES notation for 2-[3-(1,3-benzodioxol-5-ylmethyl)-1-(4-methoxyphenyl)-2,5-dioxoimidazolidin-4-yl]-N-phenylacetamide?
The canonical SMILES for 2-[3-(1,3-benzodioxol-5-ylmethyl)-1-(4-methoxyphenyl)-2,5-dioxoimidazolidin-4-yl]-N-phenylacetamide is COc1ccc(N2C(=O)C(CC(=O)Nc3ccccc3)N(Cc3ccc4c(c3)OCO4)C2=O)cc1.
What is the InChIKey of 2-[3-(1,3-benzodioxol-5-ylmethyl)-1-(4-methoxyphenyl)-2,5-dioxoimidazolidin-4-yl]-N-phenylacetamide?
The InChIKey is YKUXZIIWJSABPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N3O6/c1-33-20-10-8-19(9-11-20)29-25(31)21(14-24(30)27-18-5-3-2-4-6-18)28(26(29)32)15-17-7-12-22-23(13-17)35-16-34-22/h2-13,21H,14-16H2,1H3,(H,27,30).
What are the key properties of 2-[3-(1,3-benzodioxol-5-ylmethyl)-1-(4-methoxyphenyl)-2,5-dioxoimidazolidin-4-yl]-N-phenylacetamide?
2-[3-(1,3-benzodioxol-5-ylmethyl)-1-(4-methoxyphenyl)-2,5-dioxoimidazolidin-4-yl]-N-phenylacetamide has a molecular weight of 473.49 g/mol, XLogP of 3.79, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1,3-benzodioxol-5-ylmethyl)-1-(4-methoxyphenyl)-2,5-dioxoimidazolidin-4-yl]-N-phenylacetamide is sourced from PubChem (CID 3245480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).