2-ethylhexyl propanoate;5-[methoxy-(2-methoxyphenyl)methylidene]imidazolidine-2,4-dione

C23H34N2O6 — CID 139491402

IUPAC2-ethylhexyl propanoate;5-[methoxy-(2-methoxyphenyl)methylidene]imidazolidine-2,4-dione
SMILESCCCCC(CC)COC(=O)CC.COC(=C1NC(=O)NC1=O)c1ccccc1OC
InChIInChI=1S/C12H12N2O4.C11H22O2/c1-17-8-6-4-3-5-7(8)10(18-2)9-11(15)14-12(16)13-9;1-4-7-8-10(5-2)9-13-11(12)6-3/h3-6H,1-2H3,(H2,13,14,15,16);10H,4-9H2,1-3H3
InChIKeyUYVXEZHNCGORRE-UHFFFAOYSA-N
MW434.53 g/mol
LogP4.01
Rot. Bonds10

About 2-ethylhexyl propanoate;5-[methoxy-(2-methoxyphenyl)methylidene]imidazolidine-2,4-dione

2-ethylhexyl propanoate;5-[methoxy-(2-methoxyphenyl)methylidene]imidazolidine-2,4-dione (PubChem CID 139491402) has the molecular formula C23H34N2O6 and a molecular weight of 434.53 g/mol. Its IUPAC name is 2-ethylhexyl propanoate;5-[methoxy-(2-methoxyphenyl)methylidene]imidazolidine-2,4-dione.

Molecular Properties

Compound Name2-ethylhexyl propanoate;5-[methoxy-(2-methoxyphenyl)methylidene]imidazolidine-2,4-dione
PubChem CID139491402
Molecular FormulaC23H34N2O6
Molecular Weight434.53 g/mol
Exact Mass434.24
IUPAC Name2-ethylhexyl propanoate;5-[methoxy-(2-methoxyphenyl)methylidene]imidazolidine-2,4-dione
SMILESCCCCC(CC)COC(=O)CC.COC(=C1NC(=O)NC1=O)c1ccccc1OC
InChIInChI=1S/C12H12N2O4.C11H22O2/c1-17-8-6-4-3-5-7(8)10(18-2)9-11(15)14-12(16)13-9;1-4-7-8-10(5-2)9-13-11(12)6-3/h3-6H,1-2H3,(H2,13,14,15,16);10H,4-9H2,1-3H3
InChIKeyUYVXEZHNCGORRE-UHFFFAOYSA-N
XLogP4.01
TPSA102.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.53
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3-(2-ethylhexyl)-5-[methoxy-(2-methoxyphenyl)methylidene]imidazolidine-2,4-dione
CID 66789831
1-(2-ethylhexyl)-5-[methoxy-(2-methoxyphenyl)methylidene]imidazolidin-2-one;propanoic acid
CID 130237911
bis(2-ethylhexyl propanoate);hydroxylamine
CID 88651509
5-[methoxy-(2-methoxyphenyl)methylidene]-3-octan-3-ylimidazolidine-2,4-dione;propanoic acid
CID 67009674
2-ethylhexan-1-ol;2-ethylhexyl propanoate
CID 143702468
bis(2-ethylhexyl) benzene-1,2-dicarboxylate;tetramethylsilane
CID 67644728
2-ethyltridecyl propanoate
CID 172787512
ethanol;2-(2-ethylhexoxycarbonyl)benzoic acid
CID 175410629
4-O-(2,6-dimethoxyphenyl) 1-O-(2-ethylhexyl) (E)-but-2-enedioate
CID 91721489
1-O-(2-ethyldecyl) 2-O-(2-ethylundecyl) benzene-1,2-dicarboxylate
CID 44589518
bis(2-ethyldecyl) benzene-1,2-dicarboxylate
CID 18462811
[2-(2-ethylhexoxycarbonyl)phenyl] 2-hydroxybenzoate
CID 146469755

Frequently Asked Questions

What is the IUPAC name of 2-ethylhexyl propanoate;5-[methoxy-(2-methoxyphenyl)methylidene]imidazolidine-2,4-dione?
The IUPAC name of 2-ethylhexyl propanoate;5-[methoxy-(2-methoxyphenyl)methylidene]imidazolidine-2,4-dione (CID 139491402) is 2-ethylhexyl propanoate;5-[methoxy-(2-methoxyphenyl)methylidene]imidazolidine-2,4-dione.
What is the SMILES notation for 2-ethylhexyl propanoate;5-[methoxy-(2-methoxyphenyl)methylidene]imidazolidine-2,4-dione?
The canonical SMILES for 2-ethylhexyl propanoate;5-[methoxy-(2-methoxyphenyl)methylidene]imidazolidine-2,4-dione is CCCCC(CC)COC(=O)CC.COC(=C1NC(=O)NC1=O)c1ccccc1OC.
What is the InChIKey of 2-ethylhexyl propanoate;5-[methoxy-(2-methoxyphenyl)methylidene]imidazolidine-2,4-dione?
The InChIKey is UYVXEZHNCGORRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O4.C11H22O2/c1-17-8-6-4-3-5-7(8)10(18-2)9-11(15)14-12(16)13-9;1-4-7-8-10(5-2)9-13-11(12)6-3/h3-6H,1-2H3,(H2,13,14,15,16);10H,4-9H2,1-3H3.
What are the key properties of 2-ethylhexyl propanoate;5-[methoxy-(2-methoxyphenyl)methylidene]imidazolidine-2,4-dione?
2-ethylhexyl propanoate;5-[methoxy-(2-methoxyphenyl)methylidene]imidazolidine-2,4-dione has a molecular weight of 434.53 g/mol, XLogP of 4.01, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylhexyl propanoate;5-[methoxy-(2-methoxyphenyl)methylidene]imidazolidine-2,4-dione is sourced from PubChem (CID 139491402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).