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

C27H27N3O5 — CID 4918748

IUPAC2-[1-(4-methoxyphenyl)-3-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-phenylacetamide
SMILESCOc1ccc(CCN2C(=O)N(c3ccc(OC)cc3)C(=O)C2CC(=O)Nc2ccccc2)cc1
InChIInChI=1S/C27H27N3O5/c1-34-22-12-8-19(9-13-22)16-17-29-24(18-25(31)28-20-6-4-3-5-7-20)26(32)30(27(29)33)21-10-14-23(35-2)15-11-21/h3-15,24H,16-18H2,1-2H3,(H,28,31)
InChIKeyIWMLZRTVNZYTJO-UHFFFAOYSA-N
MW473.53 g/mol
LogP4.11
Rot. Bonds9

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

2-[1-(4-methoxyphenyl)-3-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-phenylacetamide (PubChem CID 4918748) has the molecular formula C27H27N3O5 and a molecular weight of 473.53 g/mol. Its IUPAC name is 2-[1-(4-methoxyphenyl)-3-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-phenylacetamide.

Molecular Properties

Compound Name2-[1-(4-methoxyphenyl)-3-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-phenylacetamide
PubChem CID4918748
Molecular FormulaC27H27N3O5
Molecular Weight473.53 g/mol
Exact Mass473.20
IUPAC Name2-[1-(4-methoxyphenyl)-3-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-phenylacetamide
SMILESCOc1ccc(CCN2C(=O)N(c3ccc(OC)cc3)C(=O)C2CC(=O)Nc2ccccc2)cc1
InChIInChI=1S/C27H27N3O5/c1-34-22-12-8-19(9-13-22)16-17-29-24(18-25(31)28-20-6-4-3-5-7-20)26(32)30(27(29)33)21-10-14-23(35-2)15-11-21/h3-15,24H,16-18H2,1-2H3,(H,28,31)
InChIKeyIWMLZRTVNZYTJO-UHFFFAOYSA-N
XLogP4.11
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.53
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-[1-(4-methoxyphenyl)-3-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-phenylacetamide?
The IUPAC name of 2-[1-(4-methoxyphenyl)-3-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-phenylacetamide (CID 4918748) is 2-[1-(4-methoxyphenyl)-3-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-phenylacetamide.
What is the SMILES notation for 2-[1-(4-methoxyphenyl)-3-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-phenylacetamide?
The canonical SMILES for 2-[1-(4-methoxyphenyl)-3-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-phenylacetamide is COc1ccc(CCN2C(=O)N(c3ccc(OC)cc3)C(=O)C2CC(=O)Nc2ccccc2)cc1.
What is the InChIKey of 2-[1-(4-methoxyphenyl)-3-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-phenylacetamide?
The InChIKey is IWMLZRTVNZYTJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N3O5/c1-34-22-12-8-19(9-13-22)16-17-29-24(18-25(31)28-20-6-4-3-5-7-20)26(32)30(27(29)33)21-10-14-23(35-2)15-11-21/h3-15,24H,16-18H2,1-2H3,(H,28,31).
What are the key properties of 2-[1-(4-methoxyphenyl)-3-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-phenylacetamide?
2-[1-(4-methoxyphenyl)-3-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-phenylacetamide has a molecular weight of 473.53 g/mol, XLogP of 4.11, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-methoxyphenyl)-3-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-phenylacetamide is sourced from PubChem (CID 4918748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).