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

C17H19N3O6 — CID 2574742

IUPACN-(1,3-benzodioxol-5-ylmethyl)-2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide
SMILESCC(C)CN1C(=O)C(=O)N(CC(=O)NCc2ccc3c(c2)OCO3)C1=O
InChIInChI=1S/C17H19N3O6/c1-10(2)7-19-15(22)16(23)20(17(19)24)8-14(21)18-6-11-3-4-12-13(5-11)26-9-25-12/h3-5,10H,6-9H2,1-2H3,(H,18,21)
InChIKeyKHAXZYROFRFTSZ-UHFFFAOYSA-N
MW361.35 g/mol
LogP0.48
Rot. Bonds6

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

N-(1,3-benzodioxol-5-ylmethyl)-2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide (PubChem CID 2574742) has the molecular formula C17H19N3O6 and a molecular weight of 361.35 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide
PubChem CID2574742
Molecular FormulaC17H19N3O6
Molecular Weight361.35 g/mol
Exact Mass361.13
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide
SMILESCC(C)CN1C(=O)C(=O)N(CC(=O)NCc2ccc3c(c2)OCO3)C1=O
InChIInChI=1S/C17H19N3O6/c1-10(2)7-19-15(22)16(23)20(17(19)24)8-14(21)18-6-11-3-4-12-13(5-11)26-9-25-12/h3-5,10H,6-9H2,1-2H3,(H,18,21)
InChIKeyKHAXZYROFRFTSZ-UHFFFAOYSA-N
XLogP0.48
TPSA105.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.35
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide (CID 2574742) is N-(1,3-benzodioxol-5-ylmethyl)-2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide is CC(C)CN1C(=O)C(=O)N(CC(=O)NCc2ccc3c(c2)OCO3)C1=O.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide?
The InChIKey is KHAXZYROFRFTSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O6/c1-10(2)7-19-15(22)16(23)20(17(19)24)8-14(21)18-6-11-3-4-12-13(5-11)26-9-25-12/h3-5,10H,6-9H2,1-2H3,(H,18,21).
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide?
N-(1,3-benzodioxol-5-ylmethyl)-2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide has a molecular weight of 361.35 g/mol, XLogP of 0.48, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-ylmethyl)-2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide is sourced from PubChem (CID 2574742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).