ethyl 3-[1-[4-[4-(3-ethoxy-3-oxopropyl)-2,5-dioxoimidazolidin-1-yl]butyl]-2,5-dioxoimidazolidin-4-yl]propanoate

C20H30N4O8 — CID 11712165

IUPACethyl 3-[1-[4-[4-(3-ethoxy-3-oxopropyl)-2,5-dioxoimidazolidin-1-yl]butyl]-2,5-dioxoimidazolidin-4-yl]propanoate
SMILESCCOC(=O)CCC1NC(=O)N(CCCCN2C(=O)NC(CCC(=O)OCC)C2=O)C1=O
InChIInChI=1S/C20H30N4O8/c1-3-31-15(25)9-7-13-17(27)23(19(29)21-13)11-5-6-12-24-18(28)14(22-20(24)30)8-10-16(26)32-4-2/h13-14H,3-12H2,1-2H3,(H,21,29)(H,22,30)
InChIKeyLFUJIPIFKSALLT-UHFFFAOYSA-N
MW454.48 g/mol
LogP0.29
Rot. Bonds13

About ethyl 3-[1-[4-[4-(3-ethoxy-3-oxopropyl)-2,5-dioxoimidazolidin-1-yl]butyl]-2,5-dioxoimidazolidin-4-yl]propanoate

ethyl 3-[1-[4-[4-(3-ethoxy-3-oxopropyl)-2,5-dioxoimidazolidin-1-yl]butyl]-2,5-dioxoimidazolidin-4-yl]propanoate (PubChem CID 11712165) has the molecular formula C20H30N4O8 and a molecular weight of 454.48 g/mol. Its IUPAC name is ethyl 3-[1-[4-[4-(3-ethoxy-3-oxopropyl)-2,5-dioxoimidazolidin-1-yl]butyl]-2,5-dioxoimidazolidin-4-yl]propanoate.

Molecular Properties

Compound Nameethyl 3-[1-[4-[4-(3-ethoxy-3-oxopropyl)-2,5-dioxoimidazolidin-1-yl]butyl]-2,5-dioxoimidazolidin-4-yl]propanoate
PubChem CID11712165
Molecular FormulaC20H30N4O8
Molecular Weight454.48 g/mol
Exact Mass454.21
IUPAC Nameethyl 3-[1-[4-[4-(3-ethoxy-3-oxopropyl)-2,5-dioxoimidazolidin-1-yl]butyl]-2,5-dioxoimidazolidin-4-yl]propanoate
SMILESCCOC(=O)CCC1NC(=O)N(CCCCN2C(=O)NC(CCC(=O)OCC)C2=O)C1=O
InChIInChI=1S/C20H30N4O8/c1-3-31-15(25)9-7-13-17(27)23(19(29)21-13)11-5-6-12-24-18(28)14(22-20(24)30)8-10-16(26)32-4-2/h13-14H,3-12H2,1-2H3,(H,21,29)(H,22,30)
InChIKeyLFUJIPIFKSALLT-UHFFFAOYSA-N
XLogP0.29
TPSA151.42 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds13
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.48
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

ethyl 3-[1-[12-[4-(3-ethoxy-3-oxopropyl)-2,5-dioxoimidazolidin-1-yl]dodecyl]-2,5-dioxoimidazolidin-4-yl]propanoate
CID 11642629
3-(2,5-dioxo-1-propylimidazolidin-4-yl)propanoic acid
CID 6486729
2-[(4S)-1-(2-ethoxy-2-oxoethyl)-2,5-dioxoimidazolidin-4-yl]acetic acid
CID 134107553
3-butyl-5-(3-methoxypropyl)imidazolidine-2,4-dione
CID 81081593
butyl 2-(2,5-dioxo-4-propylimidazolidin-1-yl)acetate
CID 54942288
3-(6-amino-5,5-dimethylhexyl)-5-propylimidazolidine-2,4-dione
CID 106708350
2-[4-(3-aminopropyl)-2,5-dioxoimidazolidin-1-yl]acetic acid
CID 21357442
ethyl 2-(4-methyl-2,5-dioxoimidazolidin-1-yl)acetate
CID 137320526
2-(2,5-dioxo-4-propylimidazolidin-1-yl)acetohydrazide
CID 63577727
ethyl 3-(6,6-dimethyl-2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)propanoate
CID 64835654
ethyl 4-(2-oxo-1,3-diazinan-1-yl)butanoate
CID 115371201
ethyl 3-[(3R)-1-methylpiperidin-3-yl]propanoate
CID 59958651

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[1-[4-[4-(3-ethoxy-3-oxopropyl)-2,5-dioxoimidazolidin-1-yl]butyl]-2,5-dioxoimidazolidin-4-yl]propanoate?
The IUPAC name of ethyl 3-[1-[4-[4-(3-ethoxy-3-oxopropyl)-2,5-dioxoimidazolidin-1-yl]butyl]-2,5-dioxoimidazolidin-4-yl]propanoate (CID 11712165) is ethyl 3-[1-[4-[4-(3-ethoxy-3-oxopropyl)-2,5-dioxoimidazolidin-1-yl]butyl]-2,5-dioxoimidazolidin-4-yl]propanoate.
What is the SMILES notation for ethyl 3-[1-[4-[4-(3-ethoxy-3-oxopropyl)-2,5-dioxoimidazolidin-1-yl]butyl]-2,5-dioxoimidazolidin-4-yl]propanoate?
The canonical SMILES for ethyl 3-[1-[4-[4-(3-ethoxy-3-oxopropyl)-2,5-dioxoimidazolidin-1-yl]butyl]-2,5-dioxoimidazolidin-4-yl]propanoate is CCOC(=O)CCC1NC(=O)N(CCCCN2C(=O)NC(CCC(=O)OCC)C2=O)C1=O.
What is the InChIKey of ethyl 3-[1-[4-[4-(3-ethoxy-3-oxopropyl)-2,5-dioxoimidazolidin-1-yl]butyl]-2,5-dioxoimidazolidin-4-yl]propanoate?
The InChIKey is LFUJIPIFKSALLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O8/c1-3-31-15(25)9-7-13-17(27)23(19(29)21-13)11-5-6-12-24-18(28)14(22-20(24)30)8-10-16(26)32-4-2/h13-14H,3-12H2,1-2H3,(H,21,29)(H,22,30).
What are the key properties of ethyl 3-[1-[4-[4-(3-ethoxy-3-oxopropyl)-2,5-dioxoimidazolidin-1-yl]butyl]-2,5-dioxoimidazolidin-4-yl]propanoate?
ethyl 3-[1-[4-[4-(3-ethoxy-3-oxopropyl)-2,5-dioxoimidazolidin-1-yl]butyl]-2,5-dioxoimidazolidin-4-yl]propanoate has a molecular weight of 454.48 g/mol, XLogP of 0.29, 13 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[1-[4-[4-(3-ethoxy-3-oxopropyl)-2,5-dioxoimidazolidin-1-yl]butyl]-2,5-dioxoimidazolidin-4-yl]propanoate is sourced from PubChem (CID 11712165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).