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

C28H29N3O5 — CID 4874624

IUPACN-(4-methoxyphenyl)-2-[3-[2-(4-methoxyphenyl)ethyl]-1-(4-methylphenyl)-2,5-dioxoimidazolidin-4-yl]acetamide
SMILESCOc1ccc(CCN2C(=O)N(c3ccc(C)cc3)C(=O)C2CC(=O)Nc2ccc(OC)cc2)cc1
InChIInChI=1S/C28H29N3O5/c1-19-4-10-22(11-5-19)31-27(33)25(18-26(32)29-21-8-14-24(36-3)15-9-21)30(28(31)34)17-16-20-6-12-23(35-2)13-7-20/h4-15,25H,16-18H2,1-3H3,(H,29,32)
InChIKeyVMAMIFVKARIQOP-UHFFFAOYSA-N
MW487.56 g/mol
LogP4.42
Rot. Bonds9

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

N-(4-methoxyphenyl)-2-[3-[2-(4-methoxyphenyl)ethyl]-1-(4-methylphenyl)-2,5-dioxoimidazolidin-4-yl]acetamide (PubChem CID 4874624) has the molecular formula C28H29N3O5 and a molecular weight of 487.56 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-2-[3-[2-(4-methoxyphenyl)ethyl]-1-(4-methylphenyl)-2,5-dioxoimidazolidin-4-yl]acetamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-2-[3-[2-(4-methoxyphenyl)ethyl]-1-(4-methylphenyl)-2,5-dioxoimidazolidin-4-yl]acetamide
PubChem CID4874624
Molecular FormulaC28H29N3O5
Molecular Weight487.56 g/mol
Exact Mass487.21
IUPAC NameN-(4-methoxyphenyl)-2-[3-[2-(4-methoxyphenyl)ethyl]-1-(4-methylphenyl)-2,5-dioxoimidazolidin-4-yl]acetamide
SMILESCOc1ccc(CCN2C(=O)N(c3ccc(C)cc3)C(=O)C2CC(=O)Nc2ccc(OC)cc2)cc1
InChIInChI=1S/C28H29N3O5/c1-19-4-10-22(11-5-19)31-27(33)25(18-26(32)29-21-8-14-24(36-3)15-9-21)30(28(31)34)17-16-20-6-12-23(35-2)13-7-20/h4-15,25H,16-18H2,1-3H3,(H,29,32)
InChIKeyVMAMIFVKARIQOP-UHFFFAOYSA-N
XLogP4.42
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.56
LogP ≤ 54.42
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 N-(4-methoxyphenyl)-2-[3-[2-(4-methoxyphenyl)ethyl]-1-(4-methylphenyl)-2,5-dioxoimidazolidin-4-yl]acetamide?
The IUPAC name of N-(4-methoxyphenyl)-2-[3-[2-(4-methoxyphenyl)ethyl]-1-(4-methylphenyl)-2,5-dioxoimidazolidin-4-yl]acetamide (CID 4874624) is N-(4-methoxyphenyl)-2-[3-[2-(4-methoxyphenyl)ethyl]-1-(4-methylphenyl)-2,5-dioxoimidazolidin-4-yl]acetamide.
What is the SMILES notation for N-(4-methoxyphenyl)-2-[3-[2-(4-methoxyphenyl)ethyl]-1-(4-methylphenyl)-2,5-dioxoimidazolidin-4-yl]acetamide?
The canonical SMILES for N-(4-methoxyphenyl)-2-[3-[2-(4-methoxyphenyl)ethyl]-1-(4-methylphenyl)-2,5-dioxoimidazolidin-4-yl]acetamide is COc1ccc(CCN2C(=O)N(c3ccc(C)cc3)C(=O)C2CC(=O)Nc2ccc(OC)cc2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-2-[3-[2-(4-methoxyphenyl)ethyl]-1-(4-methylphenyl)-2,5-dioxoimidazolidin-4-yl]acetamide?
The InChIKey is VMAMIFVKARIQOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N3O5/c1-19-4-10-22(11-5-19)31-27(33)25(18-26(32)29-21-8-14-24(36-3)15-9-21)30(28(31)34)17-16-20-6-12-23(35-2)13-7-20/h4-15,25H,16-18H2,1-3H3,(H,29,32).
What are the key properties of N-(4-methoxyphenyl)-2-[3-[2-(4-methoxyphenyl)ethyl]-1-(4-methylphenyl)-2,5-dioxoimidazolidin-4-yl]acetamide?
N-(4-methoxyphenyl)-2-[3-[2-(4-methoxyphenyl)ethyl]-1-(4-methylphenyl)-2,5-dioxoimidazolidin-4-yl]acetamide has a molecular weight of 487.56 g/mol, XLogP of 4.42, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-2-[3-[2-(4-methoxyphenyl)ethyl]-1-(4-methylphenyl)-2,5-dioxoimidazolidin-4-yl]acetamide is sourced from PubChem (CID 4874624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).