ethyl 2-[(4S)-4-(1,3-benzodioxol-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate

C15H16N2O6 — CID 7692011

IUPACethyl 2-[(4S)-4-(1,3-benzodioxol-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate
SMILESCCOC(=O)CN1C(=O)N[C@@](C)(c2ccc3c(c2)OCO3)C1=O
InChIInChI=1S/C15H16N2O6/c1-3-21-12(18)7-17-13(19)15(2,16-14(17)20)9-4-5-10-11(6-9)23-8-22-10/h4-6H,3,7-8H2,1-2H3,(H,16,20)/t15-/m0/s1
InChIKeyKKNNHKLPPCQEAV-HNNXBMFYSA-N
MW320.30 g/mol
LogP0.75
Rot. Bonds4

About ethyl 2-[(4S)-4-(1,3-benzodioxol-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate

ethyl 2-[(4S)-4-(1,3-benzodioxol-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate (PubChem CID 7692011) has the molecular formula C15H16N2O6 and a molecular weight of 320.30 g/mol. Its IUPAC name is ethyl 2-[(4S)-4-(1,3-benzodioxol-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[(4S)-4-(1,3-benzodioxol-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate
PubChem CID7692011
Molecular FormulaC15H16N2O6
Molecular Weight320.30 g/mol
Exact Mass320.10
IUPAC Nameethyl 2-[(4S)-4-(1,3-benzodioxol-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate
SMILESCCOC(=O)CN1C(=O)N[C@@](C)(c2ccc3c(c2)OCO3)C1=O
InChIInChI=1S/C15H16N2O6/c1-3-21-12(18)7-17-13(19)15(2,16-14(17)20)9-4-5-10-11(6-9)23-8-22-10/h4-6H,3,7-8H2,1-2H3,(H,16,20)/t15-/m0/s1
InChIKeyKKNNHKLPPCQEAV-HNNXBMFYSA-N
XLogP0.75
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.30
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(1,3-benzodioxol-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N,N-dimethylacetamide
CID 17441791
butyl 2-[(4S)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate
CID 7483962
butyl 2-[(4R)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate
CID 7483959
2-[(4R)-4-(1,3-benzodioxol-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-ethylacetamide
CID 40931059
ethyl 4-[[2-[(4R)-4-(1,3-benzodioxol-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]benzoate
CID 92786666
ethyl 4-[[2-[(4S)-4-(1,3-benzodioxol-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]benzoate
CID 92786665
2-[(4R)-4-(1,3-benzodioxol-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-butylacetamide
CID 7691962
5-(1,3-benzodioxol-5-yl)-5-methyl-3-[2-(4-methylphenyl)-2-oxoethyl]imidazolidine-2,4-dione
CID 17452081
2-[(4R)-4-(1,3-benzodioxol-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-ethyl-N-(2-methylprop-2-enyl)acetamide
CID 7359216
5-(1,3-benzodioxol-5-yl)-5-methyl-3-propylimidazolidine-2,4-dione
CID 17396815
(5R)-5-(1,3-benzodioxol-5-yl)-3-[2-(4-ethylphenyl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione
CID 7359170
2-[(4S)-4-(1,3-benzodioxol-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-cyclohexyl-N-ethylacetamide
CID 7692105

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(4S)-4-(1,3-benzodioxol-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate?
The IUPAC name of ethyl 2-[(4S)-4-(1,3-benzodioxol-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate (CID 7692011) is ethyl 2-[(4S)-4-(1,3-benzodioxol-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate.
What is the SMILES notation for ethyl 2-[(4S)-4-(1,3-benzodioxol-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate?
The canonical SMILES for ethyl 2-[(4S)-4-(1,3-benzodioxol-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate is CCOC(=O)CN1C(=O)N[C@@](C)(c2ccc3c(c2)OCO3)C1=O.
What is the InChIKey of ethyl 2-[(4S)-4-(1,3-benzodioxol-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate?
The InChIKey is KKNNHKLPPCQEAV-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H16N2O6/c1-3-21-12(18)7-17-13(19)15(2,16-14(17)20)9-4-5-10-11(6-9)23-8-22-10/h4-6H,3,7-8H2,1-2H3,(H,16,20)/t15-/m0/s1.
What are the key properties of ethyl 2-[(4S)-4-(1,3-benzodioxol-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate?
ethyl 2-[(4S)-4-(1,3-benzodioxol-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate has a molecular weight of 320.30 g/mol, XLogP of 0.75, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(4S)-4-(1,3-benzodioxol-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate is sourced from PubChem (CID 7692011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).