2-[(4S)-4-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-phenoxyphenyl)acetamide

C26H23N3O6 — CID 41188241

IUPAC2-[(4S)-4-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-phenoxyphenyl)acetamide
SMILESC[C@@]1(Cc2ccc3c(c2)OCO3)NC(=O)N(CC(=O)Nc2ccccc2Oc2ccccc2)C1=O
InChIInChI=1S/C26H23N3O6/c1-26(14-17-11-12-21-22(13-17)34-16-33-21)24(31)29(25(32)28-26)15-23(30)27-19-9-5-6-10-20(19)35-18-7-3-2-4-8-18/h2-13H,14-16H2,1H3,(H,27,30)(H,28,32)/t26-/m0/s1
InChIKeyVFZLAHUEVUCYKW-SANMLTNESA-N
MW473.49 g/mol
LogP3.70
Rot. Bonds7

About 2-[(4S)-4-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-phenoxyphenyl)acetamide

2-[(4S)-4-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-phenoxyphenyl)acetamide (PubChem CID 41188241) has the molecular formula C26H23N3O6 and a molecular weight of 473.49 g/mol. Its IUPAC name is 2-[(4S)-4-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-phenoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[(4S)-4-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-phenoxyphenyl)acetamide
PubChem CID41188241
Molecular FormulaC26H23N3O6
Molecular Weight473.49 g/mol
Exact Mass473.16
IUPAC Name2-[(4S)-4-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-phenoxyphenyl)acetamide
SMILESC[C@@]1(Cc2ccc3c(c2)OCO3)NC(=O)N(CC(=O)Nc2ccccc2Oc2ccccc2)C1=O
InChIInChI=1S/C26H23N3O6/c1-26(14-17-11-12-21-22(13-17)34-16-33-21)24(31)29(25(32)28-26)15-23(30)27-19-9-5-6-10-20(19)35-18-7-3-2-4-8-18/h2-13H,14-16H2,1H3,(H,27,30)(H,28,32)/t26-/m0/s1
InChIKeyVFZLAHUEVUCYKW-SANMLTNESA-N
XLogP3.70
TPSA106.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.49
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[(4R)-4-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-chlorophenyl)acetamide
CID 8659391
2-[(4R)-4-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-phenylacetamide
CID 8659323
2-[4-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-naphthalen-2-ylacetamide
CID 43013414
2-[4-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2,4-dimethylphenyl)acetamide
CID 43013428
2-[(4R)-4-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(2R)-2-phenylpropyl]acetamide
CID 8660053
2-[(4R)-4-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetamide
CID 41081003
2-[4-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[2-(3-methylphenoxy)ethyl]acetamide
CID 46615794
2-[(4R)-4-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 36658926
butyl 2-[(4S)-4-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate
CID 8659819
(5S)-5-(1,3-benzodioxol-5-ylmethyl)-3-[2-(2-fluorophenyl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione
CID 8659478
2-[(4S)-4-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-thiophen-2-ylethyl)acetamide
CID 9064493
2-[(4R)-4-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 92519603

Frequently Asked Questions

What is the IUPAC name of 2-[(4S)-4-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-phenoxyphenyl)acetamide?
The IUPAC name of 2-[(4S)-4-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-phenoxyphenyl)acetamide (CID 41188241) is 2-[(4S)-4-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-phenoxyphenyl)acetamide.
What is the SMILES notation for 2-[(4S)-4-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-phenoxyphenyl)acetamide?
The canonical SMILES for 2-[(4S)-4-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-phenoxyphenyl)acetamide is C[C@@]1(Cc2ccc3c(c2)OCO3)NC(=O)N(CC(=O)Nc2ccccc2Oc2ccccc2)C1=O.
What is the InChIKey of 2-[(4S)-4-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-phenoxyphenyl)acetamide?
The InChIKey is VFZLAHUEVUCYKW-SANMLTNESA-N. The full InChI is InChI=1S/C26H23N3O6/c1-26(14-17-11-12-21-22(13-17)34-16-33-21)24(31)29(25(32)28-26)15-23(30)27-19-9-5-6-10-20(19)35-18-7-3-2-4-8-18/h2-13H,14-16H2,1H3,(H,27,30)(H,28,32)/t26-/m0/s1.
What are the key properties of 2-[(4S)-4-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-phenoxyphenyl)acetamide?
2-[(4S)-4-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-phenoxyphenyl)acetamide has a molecular weight of 473.49 g/mol, XLogP of 3.70, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4S)-4-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-phenoxyphenyl)acetamide is sourced from PubChem (CID 41188241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).