2-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(1,2-diphenylethyl)acetamide

C28H27N3O5 — CID 46814703

IUPAC2-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(1,2-diphenylethyl)acetamide
SMILESCC1(c2ccc3c(c2)OCCO3)NC(=O)N(CC(=O)NC(Cc2ccccc2)c2ccccc2)C1=O
InChIInChI=1S/C28H27N3O5/c1-28(21-12-13-23-24(17-21)36-15-14-35-23)26(33)31(27(34)30-28)18-25(32)29-22(20-10-6-3-7-11-20)16-19-8-4-2-5-9-19/h2-13,17,22H,14-16,18H2,1H3,(H,29,32)(H,30,34)
InChIKeyCZFOXNHCVJBNBQ-UHFFFAOYSA-N
MW485.54 g/mol
LogP3.33
Rot. Bonds7

About 2-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(1,2-diphenylethyl)acetamide

2-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(1,2-diphenylethyl)acetamide (PubChem CID 46814703) has the molecular formula C28H27N3O5 and a molecular weight of 485.54 g/mol. Its IUPAC name is 2-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(1,2-diphenylethyl)acetamide.

Molecular Properties

Compound Name2-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(1,2-diphenylethyl)acetamide
PubChem CID46814703
Molecular FormulaC28H27N3O5
Molecular Weight485.54 g/mol
Exact Mass485.20
IUPAC Name2-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(1,2-diphenylethyl)acetamide
SMILESCC1(c2ccc3c(c2)OCCO3)NC(=O)N(CC(=O)NC(Cc2ccccc2)c2ccccc2)C1=O
InChIInChI=1S/C28H27N3O5/c1-28(21-12-13-23-24(17-21)36-15-14-35-23)26(33)31(27(34)30-28)18-25(32)29-22(20-10-6-3-7-11-20)16-19-8-4-2-5-9-19/h2-13,17,22H,14-16,18H2,1H3,(H,29,32)(H,30,34)
InChIKeyCZFOXNHCVJBNBQ-UHFFFAOYSA-N
XLogP3.33
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.54
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(1,2-diphenylethyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(4R)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-propan-2-ylacetamide
CID 7483911
N-[(2S)-butan-2-yl]-2-[(4R)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 7962137
N-(2-benzylphenyl)-2-[(4R)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 2558860
2-[4-(1,3-benzodioxol-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(4-chlorophenyl)-phenylmethyl]acetamide
CID 42918405
2-[(4R)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(2R)-1-methoxypropan-2-yl]acetamide
CID 7483930
2-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[1-(3,4-dimethylphenyl)ethyl]acetamide
CID 42988079
N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-2-[(4R)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 41167289
N-[(1S)-1-(3-chlorophenyl)ethyl]-2-[(4S)-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 41187820
2-[(4R)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methyl-N-phenylacetamide
CID 7962287
2-[(4R)-4-(1,3-benzodioxol-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(1R)-1-(4-phenylphenyl)ethyl]acetamide
CID 92786972
2-[(4S)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(3-methylbutyl)acetamide
CID 7962163
2-[(4S)-4-(1,3-benzodioxol-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(1R)-1-(4-methylphenyl)propyl]acetamide
CID 7691929

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(1,2-diphenylethyl)acetamide?
The IUPAC name of 2-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(1,2-diphenylethyl)acetamide (CID 46814703) is 2-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(1,2-diphenylethyl)acetamide.
What is the SMILES notation for 2-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(1,2-diphenylethyl)acetamide?
The canonical SMILES for 2-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(1,2-diphenylethyl)acetamide is CC1(c2ccc3c(c2)OCCO3)NC(=O)N(CC(=O)NC(Cc2ccccc2)c2ccccc2)C1=O.
What is the InChIKey of 2-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(1,2-diphenylethyl)acetamide?
The InChIKey is CZFOXNHCVJBNBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27N3O5/c1-28(21-12-13-23-24(17-21)36-15-14-35-23)26(33)31(27(34)30-28)18-25(32)29-22(20-10-6-3-7-11-20)16-19-8-4-2-5-9-19/h2-13,17,22H,14-16,18H2,1H3,(H,29,32)(H,30,34).
What are the key properties of 2-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(1,2-diphenylethyl)acetamide?
2-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(1,2-diphenylethyl)acetamide has a molecular weight of 485.54 g/mol, XLogP of 3.33, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(1,2-diphenylethyl)acetamide is sourced from PubChem (CID 46814703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).