N-(1,3-benzodioxol-5-yl)-2-[3-(3-ethoxypropyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide

C17H19N3O7 — CID 17423258

IUPACN-(1,3-benzodioxol-5-yl)-2-[3-(3-ethoxypropyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide
SMILESCCOCCCN1C(=O)C(=O)N(CC(=O)Nc2ccc3c(c2)OCO3)C1=O
InChIInChI=1S/C17H19N3O7/c1-2-25-7-3-6-19-15(22)16(23)20(17(19)24)9-14(21)18-11-4-5-12-13(8-11)27-10-26-12/h4-5,8H,2-3,6-7,9-10H2,1H3,(H,18,21)
InChIKeyNVMSUDXNYBHZKV-UHFFFAOYSA-N
MW377.35 g/mol
LogP0.57
Rot. Bonds8

About N-(1,3-benzodioxol-5-yl)-2-[3-(3-ethoxypropyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide

N-(1,3-benzodioxol-5-yl)-2-[3-(3-ethoxypropyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide (PubChem CID 17423258) has the molecular formula C17H19N3O7 and a molecular weight of 377.35 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-2-[3-(3-ethoxypropyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-2-[3-(3-ethoxypropyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide
PubChem CID17423258
Molecular FormulaC17H19N3O7
Molecular Weight377.35 g/mol
Exact Mass377.12
IUPAC NameN-(1,3-benzodioxol-5-yl)-2-[3-(3-ethoxypropyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide
SMILESCCOCCCN1C(=O)C(=O)N(CC(=O)Nc2ccc3c(c2)OCO3)C1=O
InChIInChI=1S/C17H19N3O7/c1-2-25-7-3-6-19-15(22)16(23)20(17(19)24)9-14(21)18-11-4-5-12-13(8-11)27-10-26-12/h4-5,8H,2-3,6-7,9-10H2,1H3,(H,18,21)
InChIKeyNVMSUDXNYBHZKV-UHFFFAOYSA-N
XLogP0.57
TPSA114.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.35
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-(3-butyl-2,4,5-trioxoimidazolidin-1-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 2498407
1-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]-3-(3-ethoxypropyl)imidazolidine-2,4,5-trione
CID 8006003
N-(1,3-benzodioxol-5-yl)-2-(2,4,5-trioxo-3-prop-2-enylimidazolidin-1-yl)acetamide
CID 7807425
N-(1,3-benzodioxol-5-yl)-2-(3-cyclopentyl-2,4,5-trioxoimidazolidin-1-yl)acetamide
CID 2660752
N-(1,3-benzodioxol-5-yl)-2-[3-[(1R,2S)-2-methylcyclohexyl]-2,4,5-trioxoimidazolidin-1-yl]acetamide
CID 7800454
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)acetamide
CID 7756656
3-(1,3-benzodioxol-5-ylamino)-4-(2,4-dimethylphenyl)-1-(3-ethoxypropyl)pyrrole-2,5-dione
CID 110579114
N-(1,3-benzodioxol-5-yl)-2-[(2R,6R)-2,6-diethyl-3,5-dioxothiomorpholin-4-yl]acetamide
CID 2148327
N-(1,3-benzodioxol-5-yl)-2-(2,6-diethyl-3,5-dioxothiomorpholin-4-yl)acetamide
CID 4160363
N-(1,3-benzodioxol-5-yl)-2-[(5Z)-5-[(4-butoxyphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide
CID 126174940
N-(1,3-benzodioxol-5-yl)-1-[(2,4,5-trioxo-3-propylimidazolidin-1-yl)methyl]piperidine-4-carboxamide
CID 9319927
N-(1,3-benzodioxol-5-yl)nonanamide
CID 5213416

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-2-[3-(3-ethoxypropyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-2-[3-(3-ethoxypropyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide (CID 17423258) is N-(1,3-benzodioxol-5-yl)-2-[3-(3-ethoxypropyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-2-[3-(3-ethoxypropyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-2-[3-(3-ethoxypropyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide is CCOCCCN1C(=O)C(=O)N(CC(=O)Nc2ccc3c(c2)OCO3)C1=O.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-2-[3-(3-ethoxypropyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide?
The InChIKey is NVMSUDXNYBHZKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O7/c1-2-25-7-3-6-19-15(22)16(23)20(17(19)24)9-14(21)18-11-4-5-12-13(8-11)27-10-26-12/h4-5,8H,2-3,6-7,9-10H2,1H3,(H,18,21).
What are the key properties of N-(1,3-benzodioxol-5-yl)-2-[3-(3-ethoxypropyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide?
N-(1,3-benzodioxol-5-yl)-2-[3-(3-ethoxypropyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide has a molecular weight of 377.35 g/mol, XLogP of 0.57, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-2-[3-(3-ethoxypropyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide is sourced from PubChem (CID 17423258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).