2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)-N-[(4-ethoxyphenyl)methyl]-N-methylacetamide

C27H27N3O4 — CID 4795580

IUPAC2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)-N-[(4-ethoxyphenyl)methyl]-N-methylacetamide
SMILESCCOc1ccc(CN(C)C(=O)CN2C(=O)NC(c3ccccc3)(c3ccccc3)C2=O)cc1
InChIInChI=1S/C27H27N3O4/c1-3-34-23-16-14-20(15-17-23)18-29(2)24(31)19-30-25(32)27(28-26(30)33,21-10-6-4-7-11-21)22-12-8-5-9-13-22/h4-17H,3,18-19H2,1-2H3,(H,28,33)
InChIKeyPOTLGGBPNYKYBO-UHFFFAOYSA-N
MW457.53 g/mol
LogP3.54
Rot. Bonds8

About 2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)-N-[(4-ethoxyphenyl)methyl]-N-methylacetamide

2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)-N-[(4-ethoxyphenyl)methyl]-N-methylacetamide (PubChem CID 4795580) has the molecular formula C27H27N3O4 and a molecular weight of 457.53 g/mol. Its IUPAC name is 2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)-N-[(4-ethoxyphenyl)methyl]-N-methylacetamide.

Molecular Properties

Compound Name2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)-N-[(4-ethoxyphenyl)methyl]-N-methylacetamide
PubChem CID4795580
Molecular FormulaC27H27N3O4
Molecular Weight457.53 g/mol
Exact Mass457.20
IUPAC Name2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)-N-[(4-ethoxyphenyl)methyl]-N-methylacetamide
SMILESCCOc1ccc(CN(C)C(=O)CN2C(=O)NC(c3ccccc3)(c3ccccc3)C2=O)cc1
InChIInChI=1S/C27H27N3O4/c1-3-34-23-16-14-20(15-17-23)18-29(2)24(31)19-30-25(32)27(28-26(30)33,21-10-6-4-7-11-21)22-12-8-5-9-13-22/h4-17H,3,18-19H2,1-2H3,(H,28,33)
InChIKeyPOTLGGBPNYKYBO-UHFFFAOYSA-N
XLogP3.54
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.53
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)-N-[(4-ethoxyphenyl)methyl]-N-methylacetamide?
The IUPAC name of 2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)-N-[(4-ethoxyphenyl)methyl]-N-methylacetamide (CID 4795580) is 2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)-N-[(4-ethoxyphenyl)methyl]-N-methylacetamide.
What is the SMILES notation for 2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)-N-[(4-ethoxyphenyl)methyl]-N-methylacetamide?
The canonical SMILES for 2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)-N-[(4-ethoxyphenyl)methyl]-N-methylacetamide is CCOc1ccc(CN(C)C(=O)CN2C(=O)NC(c3ccccc3)(c3ccccc3)C2=O)cc1.
What is the InChIKey of 2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)-N-[(4-ethoxyphenyl)methyl]-N-methylacetamide?
The InChIKey is POTLGGBPNYKYBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N3O4/c1-3-34-23-16-14-20(15-17-23)18-29(2)24(31)19-30-25(32)27(28-26(30)33,21-10-6-4-7-11-21)22-12-8-5-9-13-22/h4-17H,3,18-19H2,1-2H3,(H,28,33).
What are the key properties of 2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)-N-[(4-ethoxyphenyl)methyl]-N-methylacetamide?
2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)-N-[(4-ethoxyphenyl)methyl]-N-methylacetamide has a molecular weight of 457.53 g/mol, XLogP of 3.54, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)-N-[(4-ethoxyphenyl)methyl]-N-methylacetamide is sourced from PubChem (CID 4795580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).