1-O-[2-(2-oxoimidazolidin-1-yl)ethyl] 4-O-[2-[2-[2-[(Z)-4-oxo-4-[2-(2-oxoimidazolidin-1-yl)ethoxy]but-2-enoyl]oxyethoxy]ethoxy]ethyl] (Z)-but-2-enedioate

C24H34N4O12 — CID 164786158

IUPAC1-O-[2-(2-oxoimidazolidin-1-yl)ethyl] 4-O-[2-[2-[2-[(Z)-4-oxo-4-[2-(2-oxoimidazolidin-1-yl)ethoxy]but-2-enoyl]oxyethoxy]ethoxy]ethyl] (Z)-but-2-enedioate
SMILESO=C(/C=C\C(=O)OCCN1CCNC1=O)OCCOCCOCCOC(=O)/C=C\C(=O)OCCN1CCNC1=O
InChIInChI=1S/C24H34N4O12/c29-19(37-11-9-27-7-5-25-23(27)33)1-3-21(31)39-17-15-35-13-14-36-16-18-40-22(32)4-2-20(30)38-12-10-28-8-6-26-24(28)34/h1-4H,5-18H2,(H,25,33)(H,26,34)/b3-1-,4-2-
InChIKeyHIWMUIGPRIVIQT-CCAGOZQPSA-N
MW570.55 g/mol
LogP-1.64
Rot. Bonds19

About 1-O-[2-(2-oxoimidazolidin-1-yl)ethyl] 4-O-[2-[2-[2-[(Z)-4-oxo-4-[2-(2-oxoimidazolidin-1-yl)ethoxy]but-2-enoyl]oxyethoxy]ethoxy]ethyl] (Z)-but-2-enedioate

1-O-[2-(2-oxoimidazolidin-1-yl)ethyl] 4-O-[2-[2-[2-[(Z)-4-oxo-4-[2-(2-oxoimidazolidin-1-yl)ethoxy]but-2-enoyl]oxyethoxy]ethoxy]ethyl] (Z)-but-2-enedioate (PubChem CID 164786158) has the molecular formula C24H34N4O12 and a molecular weight of 570.55 g/mol. Its IUPAC name is 1-O-[2-(2-oxoimidazolidin-1-yl)ethyl] 4-O-[2-[2-[2-[(Z)-4-oxo-4-[2-(2-oxoimidazolidin-1-yl)ethoxy]but-2-enoyl]oxyethoxy]ethoxy]ethyl] (Z)-but-2-enedioate.

Molecular Properties

Compound Name1-O-[2-(2-oxoimidazolidin-1-yl)ethyl] 4-O-[2-[2-[2-[(Z)-4-oxo-4-[2-(2-oxoimidazolidin-1-yl)ethoxy]but-2-enoyl]oxyethoxy]ethoxy]ethyl] (Z)-but-2-enedioate
PubChem CID164786158
Molecular FormulaC24H34N4O12
Molecular Weight570.55 g/mol
Exact Mass570.22
IUPAC Name1-O-[2-(2-oxoimidazolidin-1-yl)ethyl] 4-O-[2-[2-[2-[(Z)-4-oxo-4-[2-(2-oxoimidazolidin-1-yl)ethoxy]but-2-enoyl]oxyethoxy]ethoxy]ethyl] (Z)-but-2-enedioate
SMILESO=C(/C=C\C(=O)OCCN1CCNC1=O)OCCOCCOCCOC(=O)/C=C\C(=O)OCCN1CCNC1=O
InChIInChI=1S/C24H34N4O12/c29-19(37-11-9-27-7-5-25-23(27)33)1-3-21(31)39-17-15-35-13-14-36-16-18-40-22(32)4-2-20(30)38-12-10-28-8-6-26-24(28)34/h1-4H,5-18H2,(H,25,33)(H,26,34)/b3-1-,4-2-
InChIKeyHIWMUIGPRIVIQT-CCAGOZQPSA-N
XLogP-1.64
TPSA188.34 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds19
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500570.55
LogP ≤ 5-1.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 1-O-[2-(2-oxoimidazolidin-1-yl)ethyl] 4-O-[2-[2-[2-[(Z)-4-oxo-4-[2-(2-oxoimidazolidin-1-yl)ethoxy]but-2-enoyl]oxyethoxy]ethoxy]ethyl] (Z)-but-2-enedioate with MolForge

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Related Compounds

2-(2-oxoimidazolidin-1-yl)ethyl 4-aminobenzoate
CID 61321753
2-(2-oxoimidazolidin-1-yl)ethyl 4-amino-1,3-dimethylpyrazole-5-carboxylate
CID 66125006
[2-oxo-2-[2-(2-oxoimidazolidin-1-yl)ethylamino]ethyl] prop-2-enoate
CID 23288492
2-(2-oxoimidazolidin-1-yl)ethyl 2-(3-amino-1,2,4-triazol-1-yl)acetate
CID 61317221
1-[2-[(2-methylpropan-2-yl)oxy]ethyl]imidazolidin-2-one
CID 130395908
2-[2-(2-oxoimidazolidin-1-yl)ethylamino]oxyacetamide
CID 112673784
2-(2-oxo-1,3-oxazolidin-3-yl)ethyl prop-2-enoate
CID 22728782
bis[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl] (Z)-but-2-enedioate
CID 87256441
bis(2-morpholin-4-ylethyl) but-2-enedioate
CID 69032977
3-amino-2-[2-(2-oxoimidazolidin-1-yl)ethoxy]benzoic acid
CID 107077632
1-(2-fluoroethyl)imidazolidin-2-one
CID 87326772
1-O-methyl 4-O-[2-(3-oxothiomorpholin-4-yl)ethyl] (E)-but-2-enedioate
CID 90453530

Frequently Asked Questions

What is the IUPAC name of 1-O-[2-(2-oxoimidazolidin-1-yl)ethyl] 4-O-[2-[2-[2-[(Z)-4-oxo-4-[2-(2-oxoimidazolidin-1-yl)ethoxy]but-2-enoyl]oxyethoxy]ethoxy]ethyl] (Z)-but-2-enedioate?
The IUPAC name of 1-O-[2-(2-oxoimidazolidin-1-yl)ethyl] 4-O-[2-[2-[2-[(Z)-4-oxo-4-[2-(2-oxoimidazolidin-1-yl)ethoxy]but-2-enoyl]oxyethoxy]ethoxy]ethyl] (Z)-but-2-enedioate (CID 164786158) is 1-O-[2-(2-oxoimidazolidin-1-yl)ethyl] 4-O-[2-[2-[2-[(Z)-4-oxo-4-[2-(2-oxoimidazolidin-1-yl)ethoxy]but-2-enoyl]oxyethoxy]ethoxy]ethyl] (Z)-but-2-enedioate.
What is the SMILES notation for 1-O-[2-(2-oxoimidazolidin-1-yl)ethyl] 4-O-[2-[2-[2-[(Z)-4-oxo-4-[2-(2-oxoimidazolidin-1-yl)ethoxy]but-2-enoyl]oxyethoxy]ethoxy]ethyl] (Z)-but-2-enedioate?
The canonical SMILES for 1-O-[2-(2-oxoimidazolidin-1-yl)ethyl] 4-O-[2-[2-[2-[(Z)-4-oxo-4-[2-(2-oxoimidazolidin-1-yl)ethoxy]but-2-enoyl]oxyethoxy]ethoxy]ethyl] (Z)-but-2-enedioate is O=C(/C=C\C(=O)OCCN1CCNC1=O)OCCOCCOCCOC(=O)/C=C\C(=O)OCCN1CCNC1=O.
What is the InChIKey of 1-O-[2-(2-oxoimidazolidin-1-yl)ethyl] 4-O-[2-[2-[2-[(Z)-4-oxo-4-[2-(2-oxoimidazolidin-1-yl)ethoxy]but-2-enoyl]oxyethoxy]ethoxy]ethyl] (Z)-but-2-enedioate?
The InChIKey is HIWMUIGPRIVIQT-CCAGOZQPSA-N. The full InChI is InChI=1S/C24H34N4O12/c29-19(37-11-9-27-7-5-25-23(27)33)1-3-21(31)39-17-15-35-13-14-36-16-18-40-22(32)4-2-20(30)38-12-10-28-8-6-26-24(28)34/h1-4H,5-18H2,(H,25,33)(H,26,34)/b3-1-,4-2-.
What are the key properties of 1-O-[2-(2-oxoimidazolidin-1-yl)ethyl] 4-O-[2-[2-[2-[(Z)-4-oxo-4-[2-(2-oxoimidazolidin-1-yl)ethoxy]but-2-enoyl]oxyethoxy]ethoxy]ethyl] (Z)-but-2-enedioate?
1-O-[2-(2-oxoimidazolidin-1-yl)ethyl] 4-O-[2-[2-[2-[(Z)-4-oxo-4-[2-(2-oxoimidazolidin-1-yl)ethoxy]but-2-enoyl]oxyethoxy]ethoxy]ethyl] (Z)-but-2-enedioate has a molecular weight of 570.55 g/mol, XLogP of -1.64, 19 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 1-O-[2-(2-oxoimidazolidin-1-yl)ethyl] 4-O-[2-[2-[2-[(Z)-4-oxo-4-[2-(2-oxoimidazolidin-1-yl)ethoxy]but-2-enoyl]oxyethoxy]ethoxy]ethyl] (Z)-but-2-enedioate is sourced from PubChem (CID 164786158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).