5-[methoxy-(2-methoxyphenyl)methylidene]-3-octan-3-ylimidazolidine-2,4-dione;propanoic acid

C23H34N2O6 — CID 67009674

IUPAC5-[methoxy-(2-methoxyphenyl)methylidene]-3-octan-3-ylimidazolidine-2,4-dione;propanoic acid
SMILESCCC(=O)O.CCCCCC(CC)N1C(=O)NC(=C(OC)c2ccccc2OC)C1=O
InChIInChI=1S/C20H28N2O4.C3H6O2/c1-5-7-8-11-14(6-2)22-19(23)17(21-20(22)24)18(26-4)15-12-9-10-13-16(15)25-3;1-2-3(4)5/h9-10,12-14H,5-8,11H2,1-4H3,(H,21,24);2H2,1H3,(H,4,5)
InChIKeyRXTDUHGYKHBCRG-UHFFFAOYSA-N
MW434.53 g/mol
LogP4.40
Rot. Bonds10

About 5-[methoxy-(2-methoxyphenyl)methylidene]-3-octan-3-ylimidazolidine-2,4-dione;propanoic acid

5-[methoxy-(2-methoxyphenyl)methylidene]-3-octan-3-ylimidazolidine-2,4-dione;propanoic acid (PubChem CID 67009674) has the molecular formula C23H34N2O6 and a molecular weight of 434.53 g/mol. Its IUPAC name is 5-[methoxy-(2-methoxyphenyl)methylidene]-3-octan-3-ylimidazolidine-2,4-dione;propanoic acid.

Molecular Properties

Compound Name5-[methoxy-(2-methoxyphenyl)methylidene]-3-octan-3-ylimidazolidine-2,4-dione;propanoic acid
PubChem CID67009674
Molecular FormulaC23H34N2O6
Molecular Weight434.53 g/mol
Exact Mass434.24
IUPAC Name5-[methoxy-(2-methoxyphenyl)methylidene]-3-octan-3-ylimidazolidine-2,4-dione;propanoic acid
SMILESCCC(=O)O.CCCCCC(CC)N1C(=O)NC(=C(OC)c2ccccc2OC)C1=O
InChIInChI=1S/C20H28N2O4.C3H6O2/c1-5-7-8-11-14(6-2)22-19(23)17(21-20(22)24)18(26-4)15-12-9-10-13-16(15)25-3;1-2-3(4)5/h9-10,12-14H,5-8,11H2,1-4H3,(H,21,24);2H2,1H3,(H,4,5)
InChIKeyRXTDUHGYKHBCRG-UHFFFAOYSA-N
XLogP4.40
TPSA105.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.53
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', '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
2-ethylhexyl propanoate;5-[methoxy-(2-methoxyphenyl)methylidene]imidazolidine-2,4-dione
CID 139491402
1-ethyl-3-hexyl-5-[methoxy-(2-methoxyphenyl)methylidene]imidazolidine-2,4-dione
CID 67140706
2-[(3R)-octan-3-yl]isoindole-1,3-dione
CID 102066617
pentadecan-5-yl 2-methoxybenzoate
CID 531554
tetradecan-4-yl 2-methoxybenzoate
CID 531550
1-(2-methoxyphenyl)undecan-1-one
CID 63411736
2-methoxy-N-tridecylbenzamide
CID 139819873
6-methoxy-2-octan-3-yl-7-(4-pyridin-4-ylphenyl)benzo[de]isoquinoline-1,3-dione
CID 137492242
N-butan-2-yl-2-methoxybenzamide
CID 3117660
2-(2-methoxyphenoxy)decanoic acid
CID 21317194

Frequently Asked Questions

What is the IUPAC name of 5-[methoxy-(2-methoxyphenyl)methylidene]-3-octan-3-ylimidazolidine-2,4-dione;propanoic acid?
The IUPAC name of 5-[methoxy-(2-methoxyphenyl)methylidene]-3-octan-3-ylimidazolidine-2,4-dione;propanoic acid (CID 67009674) is 5-[methoxy-(2-methoxyphenyl)methylidene]-3-octan-3-ylimidazolidine-2,4-dione;propanoic acid.
What is the SMILES notation for 5-[methoxy-(2-methoxyphenyl)methylidene]-3-octan-3-ylimidazolidine-2,4-dione;propanoic acid?
The canonical SMILES for 5-[methoxy-(2-methoxyphenyl)methylidene]-3-octan-3-ylimidazolidine-2,4-dione;propanoic acid is CCC(=O)O.CCCCCC(CC)N1C(=O)NC(=C(OC)c2ccccc2OC)C1=O.
What is the InChIKey of 5-[methoxy-(2-methoxyphenyl)methylidene]-3-octan-3-ylimidazolidine-2,4-dione;propanoic acid?
The InChIKey is RXTDUHGYKHBCRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O4.C3H6O2/c1-5-7-8-11-14(6-2)22-19(23)17(21-20(22)24)18(26-4)15-12-9-10-13-16(15)25-3;1-2-3(4)5/h9-10,12-14H,5-8,11H2,1-4H3,(H,21,24);2H2,1H3,(H,4,5).
What are the key properties of 5-[methoxy-(2-methoxyphenyl)methylidene]-3-octan-3-ylimidazolidine-2,4-dione;propanoic acid?
5-[methoxy-(2-methoxyphenyl)methylidene]-3-octan-3-ylimidazolidine-2,4-dione;propanoic acid has a molecular weight of 434.53 g/mol, XLogP of 4.40, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[methoxy-(2-methoxyphenyl)methylidene]-3-octan-3-ylimidazolidine-2,4-dione;propanoic acid is sourced from PubChem (CID 67009674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).