3-[3-[3-(2-methylprop-2-enoyloxy)propyl]-2,4,5-trioxoimidazolidin-1-yl]propyl 2-methylprop-2-enoate

C17H22N2O7 — CID 139973012

IUPAC3-[3-[3-(2-methylprop-2-enoyloxy)propyl]-2,4,5-trioxoimidazolidin-1-yl]propyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCCN1C(=O)C(=O)N(CCCOC(=O)C(=C)C)C1=O
InChIInChI=1S/C17H22N2O7/c1-11(2)15(22)25-9-5-7-18-13(20)14(21)19(17(18)24)8-6-10-26-16(23)12(3)4/h1,3,5-10H2,2,4H3
InChIKeyTUQAWQNLBVSPRG-UHFFFAOYSA-N
MW366.37 g/mol
LogP0.80
Rot. Bonds10

About 3-[3-[3-(2-methylprop-2-enoyloxy)propyl]-2,4,5-trioxoimidazolidin-1-yl]propyl 2-methylprop-2-enoate

3-[3-[3-(2-methylprop-2-enoyloxy)propyl]-2,4,5-trioxoimidazolidin-1-yl]propyl 2-methylprop-2-enoate (PubChem CID 139973012) has the molecular formula C17H22N2O7 and a molecular weight of 366.37 g/mol. Its IUPAC name is 3-[3-[3-(2-methylprop-2-enoyloxy)propyl]-2,4,5-trioxoimidazolidin-1-yl]propyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name3-[3-[3-(2-methylprop-2-enoyloxy)propyl]-2,4,5-trioxoimidazolidin-1-yl]propyl 2-methylprop-2-enoate
PubChem CID139973012
Molecular FormulaC17H22N2O7
Molecular Weight366.37 g/mol
Exact Mass366.14
IUPAC Name3-[3-[3-(2-methylprop-2-enoyloxy)propyl]-2,4,5-trioxoimidazolidin-1-yl]propyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCCN1C(=O)C(=O)N(CCCOC(=O)C(=C)C)C1=O
InChIInChI=1S/C17H22N2O7/c1-11(2)15(22)25-9-5-7-18-13(20)14(21)19(17(18)24)8-6-10-26-16(23)12(3)4/h1,3,5-10H2,2,4H3
InChIKeyTUQAWQNLBVSPRG-UHFFFAOYSA-N
XLogP0.80
TPSA110.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.37
LogP ≤ 50.80
H-Bond Donors ≤ 50
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'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[3-[3-(2-methylprop-2-enoyloxy)propyl]-2,4,5-trioxoimidazolidin-1-yl]propyl 2-methylprop-2-enoate?
The IUPAC name of 3-[3-[3-(2-methylprop-2-enoyloxy)propyl]-2,4,5-trioxoimidazolidin-1-yl]propyl 2-methylprop-2-enoate (CID 139973012) is 3-[3-[3-(2-methylprop-2-enoyloxy)propyl]-2,4,5-trioxoimidazolidin-1-yl]propyl 2-methylprop-2-enoate.
What is the SMILES notation for 3-[3-[3-(2-methylprop-2-enoyloxy)propyl]-2,4,5-trioxoimidazolidin-1-yl]propyl 2-methylprop-2-enoate?
The canonical SMILES for 3-[3-[3-(2-methylprop-2-enoyloxy)propyl]-2,4,5-trioxoimidazolidin-1-yl]propyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCCN1C(=O)C(=O)N(CCCOC(=O)C(=C)C)C1=O.
What is the InChIKey of 3-[3-[3-(2-methylprop-2-enoyloxy)propyl]-2,4,5-trioxoimidazolidin-1-yl]propyl 2-methylprop-2-enoate?
The InChIKey is TUQAWQNLBVSPRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O7/c1-11(2)15(22)25-9-5-7-18-13(20)14(21)19(17(18)24)8-6-10-26-16(23)12(3)4/h1,3,5-10H2,2,4H3.
What are the key properties of 3-[3-[3-(2-methylprop-2-enoyloxy)propyl]-2,4,5-trioxoimidazolidin-1-yl]propyl 2-methylprop-2-enoate?
3-[3-[3-(2-methylprop-2-enoyloxy)propyl]-2,4,5-trioxoimidazolidin-1-yl]propyl 2-methylprop-2-enoate has a molecular weight of 366.37 g/mol, XLogP of 0.80, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[3-(2-methylprop-2-enoyloxy)propyl]-2,4,5-trioxoimidazolidin-1-yl]propyl 2-methylprop-2-enoate is sourced from PubChem (CID 139973012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).