N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide

C22H23N3O5 — CID 3942125

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide
SMILESCC1(CCc2ccccc2)NC(=O)N(CC(=O)Nc2ccc3c(c2)OCCO3)C1=O
InChIInChI=1S/C22H23N3O5/c1-22(10-9-15-5-3-2-4-6-15)20(27)25(21(28)24-22)14-19(26)23-16-7-8-17-18(13-16)30-12-11-29-17/h2-8,13H,9-12,14H2,1H3,(H,23,26)(H,24,28)
InChIKeyDMYQWAOHPQSQJD-UHFFFAOYSA-N
MW409.44 g/mol
LogP2.34
Rot. Bonds6

About N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide (PubChem CID 3942125) has the molecular formula C22H23N3O5 and a molecular weight of 409.44 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide
PubChem CID3942125
Molecular FormulaC22H23N3O5
Molecular Weight409.44 g/mol
Exact Mass409.16
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide
SMILESCC1(CCc2ccccc2)NC(=O)N(CC(=O)Nc2ccc3c(c2)OCCO3)C1=O
InChIInChI=1S/C22H23N3O5/c1-22(10-9-15-5-3-2-4-6-15)20(27)25(21(28)24-22)14-19(26)23-16-7-8-17-18(13-16)30-12-11-29-17/h2-8,13H,9-12,14H2,1H3,(H,23,26)(H,24,28)
InChIKeyDMYQWAOHPQSQJD-UHFFFAOYSA-N
XLogP2.34
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.44
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-methylpiperidin-1-yl)-2-phenylacetamide
CID 3240990
CeMMEC13
CID 110694558
2-(4-benzylpiperidin-1-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 2332755
N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 11948728
N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N-methylcyclopentanecarboxamide
CID 2561217
N-(2H,3H-benzo[3,4-e]1,4-dioxin-6-yl)-N'-(2-phenylethyl)ethane-1,2-diamide
CID 3154023
2-[4-(3-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 3956480
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 4591414
N-[2-(3,4-dimethoxyanilino)-2-oxoethyl]cyclohexanecarboxamide
CID 4787569
N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidine-3-carboxamide
CID 4835852
2-(2,3-Dihydro-1,4-benzodioxin-6-ylamino)-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one
CID 4880364
2-[[2-(2-butan-2-ylanilino)-2-oxoethyl]-ethylamino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 4963837

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide (CID 3942125) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide is CC1(CCc2ccccc2)NC(=O)N(CC(=O)Nc2ccc3c(c2)OCCO3)C1=O.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide?
The InChIKey is DMYQWAOHPQSQJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O5/c1-22(10-9-15-5-3-2-4-6-15)20(27)25(21(28)24-22)14-19(26)23-16-7-8-17-18(13-16)30-12-11-29-17/h2-8,13H,9-12,14H2,1H3,(H,23,26)(H,24,28).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide has a molecular weight of 409.44 g/mol, XLogP of 2.34, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide is sourced from PubChem (CID 3942125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).