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

C19H26N2O7 — CID 139973022

IUPAC4-[3-[3-(2-methylprop-2-enoyloxy)butyl]-2,4,5-trioxoimidazolidin-1-yl]butan-2-yl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(C)CCN1C(=O)C(=O)N(CCC(C)OC(=O)C(=C)C)C1=O
InChIInChI=1S/C19H26N2O7/c1-11(2)17(24)27-13(5)7-9-20-15(22)16(23)21(19(20)26)10-8-14(6)28-18(25)12(3)4/h13-14H,1,3,7-10H2,2,4-6H3
InChIKeyVIRKULYPJFSNFQ-UHFFFAOYSA-N
MW394.42 g/mol
LogP1.57
Rot. Bonds10

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

4-[3-[3-(2-methylprop-2-enoyloxy)butyl]-2,4,5-trioxoimidazolidin-1-yl]butan-2-yl 2-methylprop-2-enoate (PubChem CID 139973022) has the molecular formula C19H26N2O7 and a molecular weight of 394.42 g/mol. Its IUPAC name is 4-[3-[3-(2-methylprop-2-enoyloxy)butyl]-2,4,5-trioxoimidazolidin-1-yl]butan-2-yl 2-methylprop-2-enoate.

Molecular Properties

Compound Name4-[3-[3-(2-methylprop-2-enoyloxy)butyl]-2,4,5-trioxoimidazolidin-1-yl]butan-2-yl 2-methylprop-2-enoate
PubChem CID139973022
Molecular FormulaC19H26N2O7
Molecular Weight394.42 g/mol
Exact Mass394.17
IUPAC Name4-[3-[3-(2-methylprop-2-enoyloxy)butyl]-2,4,5-trioxoimidazolidin-1-yl]butan-2-yl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(C)CCN1C(=O)C(=O)N(CCC(C)OC(=O)C(=C)C)C1=O
InChIInChI=1S/C19H26N2O7/c1-11(2)17(24)27-13(5)7-9-20-15(22)16(23)21(19(20)26)10-8-14(6)28-18(25)12(3)4/h13-14H,1,3,7-10H2,2,4-6H3
InChIKeyVIRKULYPJFSNFQ-UHFFFAOYSA-N
XLogP1.57
TPSA110.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.42
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'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 4-[3-[3-(2-methylprop-2-enoyloxy)butyl]-2,4,5-trioxoimidazolidin-1-yl]butan-2-yl 2-methylprop-2-enoate?
The IUPAC name of 4-[3-[3-(2-methylprop-2-enoyloxy)butyl]-2,4,5-trioxoimidazolidin-1-yl]butan-2-yl 2-methylprop-2-enoate (CID 139973022) is 4-[3-[3-(2-methylprop-2-enoyloxy)butyl]-2,4,5-trioxoimidazolidin-1-yl]butan-2-yl 2-methylprop-2-enoate.
What is the SMILES notation for 4-[3-[3-(2-methylprop-2-enoyloxy)butyl]-2,4,5-trioxoimidazolidin-1-yl]butan-2-yl 2-methylprop-2-enoate?
The canonical SMILES for 4-[3-[3-(2-methylprop-2-enoyloxy)butyl]-2,4,5-trioxoimidazolidin-1-yl]butan-2-yl 2-methylprop-2-enoate is C=C(C)C(=O)OC(C)CCN1C(=O)C(=O)N(CCC(C)OC(=O)C(=C)C)C1=O.
What is the InChIKey of 4-[3-[3-(2-methylprop-2-enoyloxy)butyl]-2,4,5-trioxoimidazolidin-1-yl]butan-2-yl 2-methylprop-2-enoate?
The InChIKey is VIRKULYPJFSNFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O7/c1-11(2)17(24)27-13(5)7-9-20-15(22)16(23)21(19(20)26)10-8-14(6)28-18(25)12(3)4/h13-14H,1,3,7-10H2,2,4-6H3.
What are the key properties of 4-[3-[3-(2-methylprop-2-enoyloxy)butyl]-2,4,5-trioxoimidazolidin-1-yl]butan-2-yl 2-methylprop-2-enoate?
4-[3-[3-(2-methylprop-2-enoyloxy)butyl]-2,4,5-trioxoimidazolidin-1-yl]butan-2-yl 2-methylprop-2-enoate has a molecular weight of 394.42 g/mol, XLogP of 1.57, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[3-(2-methylprop-2-enoyloxy)butyl]-2,4,5-trioxoimidazolidin-1-yl]butan-2-yl 2-methylprop-2-enoate is sourced from PubChem (CID 139973022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).