prop-2-enyl 3-[3-methyl-1-[6-[3-methyl-2,5-dioxo-4-(3-oxo-3-prop-2-enoxypropyl)imidazolidin-1-yl]hexyl]-2,5-dioxoimidazolidin-4-yl]propanoate

C26H38N4O8 — CID 24777262

IUPACprop-2-enyl 3-[3-methyl-1-[6-[3-methyl-2,5-dioxo-4-(3-oxo-3-prop-2-enoxypropyl)imidazolidin-1-yl]hexyl]-2,5-dioxoimidazolidin-4-yl]propanoate
SMILESC=CCOC(=O)CCC1C(=O)N(CCCCCCN2C(=O)C(CCC(=O)OCC=C)N(C)C2=O)C(=O)N1C
InChIInChI=1S/C26H38N4O8/c1-5-17-37-21(31)13-11-19-23(33)29(25(35)27(19)3)15-9-7-8-10-16-30-24(34)20(28(4)26(30)36)12-14-22(32)38-18-6-2/h5-6,19-20H,1-2,7-18H2,3-4H3
InChIKeyQIUUDLJWTUPCML-UHFFFAOYSA-N
MW534.61 g/mol
LogP2.09
Rot. Bonds17

About prop-2-enyl 3-[3-methyl-1-[6-[3-methyl-2,5-dioxo-4-(3-oxo-3-prop-2-enoxypropyl)imidazolidin-1-yl]hexyl]-2,5-dioxoimidazolidin-4-yl]propanoate

prop-2-enyl 3-[3-methyl-1-[6-[3-methyl-2,5-dioxo-4-(3-oxo-3-prop-2-enoxypropyl)imidazolidin-1-yl]hexyl]-2,5-dioxoimidazolidin-4-yl]propanoate (PubChem CID 24777262) has the molecular formula C26H38N4O8 and a molecular weight of 534.61 g/mol. Its IUPAC name is prop-2-enyl 3-[3-methyl-1-[6-[3-methyl-2,5-dioxo-4-(3-oxo-3-prop-2-enoxypropyl)imidazolidin-1-yl]hexyl]-2,5-dioxoimidazolidin-4-yl]propanoate.

Molecular Properties

Compound Nameprop-2-enyl 3-[3-methyl-1-[6-[3-methyl-2,5-dioxo-4-(3-oxo-3-prop-2-enoxypropyl)imidazolidin-1-yl]hexyl]-2,5-dioxoimidazolidin-4-yl]propanoate
PubChem CID24777262
Molecular FormulaC26H38N4O8
Molecular Weight534.61 g/mol
Exact Mass534.27
IUPAC Nameprop-2-enyl 3-[3-methyl-1-[6-[3-methyl-2,5-dioxo-4-(3-oxo-3-prop-2-enoxypropyl)imidazolidin-1-yl]hexyl]-2,5-dioxoimidazolidin-4-yl]propanoate
SMILESC=CCOC(=O)CCC1C(=O)N(CCCCCCN2C(=O)C(CCC(=O)OCC=C)N(C)C2=O)C(=O)N1C
InChIInChI=1S/C26H38N4O8/c1-5-17-37-21(31)13-11-19-23(33)29(25(35)27(19)3)15-9-7-8-10-16-30-24(34)20(28(4)26(30)36)12-14-22(32)38-18-6-2/h5-6,19-20H,1-2,7-18H2,3-4H3
InChIKeyQIUUDLJWTUPCML-UHFFFAOYSA-N
XLogP2.09
TPSA133.84 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds17
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500534.61
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of prop-2-enyl 3-[3-methyl-1-[6-[3-methyl-2,5-dioxo-4-(3-oxo-3-prop-2-enoxypropyl)imidazolidin-1-yl]hexyl]-2,5-dioxoimidazolidin-4-yl]propanoate?
The IUPAC name of prop-2-enyl 3-[3-methyl-1-[6-[3-methyl-2,5-dioxo-4-(3-oxo-3-prop-2-enoxypropyl)imidazolidin-1-yl]hexyl]-2,5-dioxoimidazolidin-4-yl]propanoate (CID 24777262) is prop-2-enyl 3-[3-methyl-1-[6-[3-methyl-2,5-dioxo-4-(3-oxo-3-prop-2-enoxypropyl)imidazolidin-1-yl]hexyl]-2,5-dioxoimidazolidin-4-yl]propanoate.
What is the SMILES notation for prop-2-enyl 3-[3-methyl-1-[6-[3-methyl-2,5-dioxo-4-(3-oxo-3-prop-2-enoxypropyl)imidazolidin-1-yl]hexyl]-2,5-dioxoimidazolidin-4-yl]propanoate?
The canonical SMILES for prop-2-enyl 3-[3-methyl-1-[6-[3-methyl-2,5-dioxo-4-(3-oxo-3-prop-2-enoxypropyl)imidazolidin-1-yl]hexyl]-2,5-dioxoimidazolidin-4-yl]propanoate is C=CCOC(=O)CCC1C(=O)N(CCCCCCN2C(=O)C(CCC(=O)OCC=C)N(C)C2=O)C(=O)N1C.
What is the InChIKey of prop-2-enyl 3-[3-methyl-1-[6-[3-methyl-2,5-dioxo-4-(3-oxo-3-prop-2-enoxypropyl)imidazolidin-1-yl]hexyl]-2,5-dioxoimidazolidin-4-yl]propanoate?
The InChIKey is QIUUDLJWTUPCML-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H38N4O8/c1-5-17-37-21(31)13-11-19-23(33)29(25(35)27(19)3)15-9-7-8-10-16-30-24(34)20(28(4)26(30)36)12-14-22(32)38-18-6-2/h5-6,19-20H,1-2,7-18H2,3-4H3.
What are the key properties of prop-2-enyl 3-[3-methyl-1-[6-[3-methyl-2,5-dioxo-4-(3-oxo-3-prop-2-enoxypropyl)imidazolidin-1-yl]hexyl]-2,5-dioxoimidazolidin-4-yl]propanoate?
prop-2-enyl 3-[3-methyl-1-[6-[3-methyl-2,5-dioxo-4-(3-oxo-3-prop-2-enoxypropyl)imidazolidin-1-yl]hexyl]-2,5-dioxoimidazolidin-4-yl]propanoate has a molecular weight of 534.61 g/mol, XLogP of 2.09, 17 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl 3-[3-methyl-1-[6-[3-methyl-2,5-dioxo-4-(3-oxo-3-prop-2-enoxypropyl)imidazolidin-1-yl]hexyl]-2,5-dioxoimidazolidin-4-yl]propanoate is sourced from PubChem (CID 24777262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).