1-(2-ethylhexyl)-5-[methoxy-(2-methoxyphenyl)methylidene]imidazolidin-2-one;propanoic acid

C23H36N2O5 — CID 130237911

IUPAC1-(2-ethylhexyl)-5-[methoxy-(2-methoxyphenyl)methylidene]imidazolidin-2-one;propanoic acid
SMILESCCC(=O)O.CCCCC(CC)CN1C(=O)NCC1=C(OC)c1ccccc1OC
InChIInChI=1S/C20H30N2O3.C3H6O2/c1-5-7-10-15(6-2)14-22-17(13-21-20(22)23)19(25-4)16-11-8-9-12-18(16)24-3;1-2-3(4)5/h8-9,11-12,15H,5-7,10,13-14H2,1-4H3,(H,21,23);2H2,1H3,(H,4,5)
InChIKeyFECJWIWYDNTHEQ-UHFFFAOYSA-N
MW420.55 g/mol
LogP4.73
Rot. Bonds10

About 1-(2-ethylhexyl)-5-[methoxy-(2-methoxyphenyl)methylidene]imidazolidin-2-one;propanoic acid

1-(2-ethylhexyl)-5-[methoxy-(2-methoxyphenyl)methylidene]imidazolidin-2-one;propanoic acid (PubChem CID 130237911) has the molecular formula C23H36N2O5 and a molecular weight of 420.55 g/mol. Its IUPAC name is 1-(2-ethylhexyl)-5-[methoxy-(2-methoxyphenyl)methylidene]imidazolidin-2-one;propanoic acid.

Molecular Properties

Compound Name1-(2-ethylhexyl)-5-[methoxy-(2-methoxyphenyl)methylidene]imidazolidin-2-one;propanoic acid
PubChem CID130237911
Molecular FormulaC23H36N2O5
Molecular Weight420.55 g/mol
Exact Mass420.26
IUPAC Name1-(2-ethylhexyl)-5-[methoxy-(2-methoxyphenyl)methylidene]imidazolidin-2-one;propanoic acid
SMILESCCC(=O)O.CCCCC(CC)CN1C(=O)NCC1=C(OC)c1ccccc1OC
InChIInChI=1S/C20H30N2O3.C3H6O2/c1-5-7-10-15(6-2)14-22-17(13-21-20(22)23)19(25-4)16-11-8-9-12-18(16)24-3;1-2-3(4)5/h8-9,11-12,15H,5-7,10,13-14H2,1-4H3,(H,21,23);2H2,1H3,(H,4,5)
InChIKeyFECJWIWYDNTHEQ-UHFFFAOYSA-N
XLogP4.73
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.55
LogP ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(2-ethylhexyl)-5-[methoxy-(2-methoxyphenyl)methylidene]imidazolidine-2,4-dione
CID 66789831
2-ethylhexyl propanoate;5-[methoxy-(2-methoxyphenyl)methylidene]imidazolidine-2,4-dione
CID 139491402
5-[methoxy-(2-methoxyphenyl)methylidene]-3-octan-3-ylimidazolidine-2,4-dione;propanoic acid
CID 67009674
1-ethyl-3-hexyl-5-[methoxy-(2-methoxyphenyl)methylidene]imidazolidine-2,4-dione
CID 67140706
2-[13-(2-ethylhexyl)-5,7,12,14-tetraoxo-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaen-6-yl]benzoic acid
CID 102432935
2-(2-ethylhexylsulfanyloxy)benzoic acid
CID 19826255
1-(2-ethylhexyl)-2-methoxybenzene
CID 160716483
pentadecan-5-yl 2-methoxybenzoate
CID 531554
CID 174954511
CID 174954511
6-benzoyl-2-(2-ethylhexyl)-7-(2-hydroxybenzoyl)benzo[de]isoquinoline-1,3-dione
CID 137492222
bis(2-ethylhexyl) benzene-1,2-dicarboxylate;tetramethylsilane
CID 67644728
2-[2-(2-ethylhexyl)-7-methoxy-1,3-dioxobenzo[de]isoquinolin-6-yl]oxyethyl 2-methylprop-2-enoate
CID 137492157

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylhexyl)-5-[methoxy-(2-methoxyphenyl)methylidene]imidazolidin-2-one;propanoic acid?
The IUPAC name of 1-(2-ethylhexyl)-5-[methoxy-(2-methoxyphenyl)methylidene]imidazolidin-2-one;propanoic acid (CID 130237911) is 1-(2-ethylhexyl)-5-[methoxy-(2-methoxyphenyl)methylidene]imidazolidin-2-one;propanoic acid.
What is the SMILES notation for 1-(2-ethylhexyl)-5-[methoxy-(2-methoxyphenyl)methylidene]imidazolidin-2-one;propanoic acid?
The canonical SMILES for 1-(2-ethylhexyl)-5-[methoxy-(2-methoxyphenyl)methylidene]imidazolidin-2-one;propanoic acid is CCC(=O)O.CCCCC(CC)CN1C(=O)NCC1=C(OC)c1ccccc1OC.
What is the InChIKey of 1-(2-ethylhexyl)-5-[methoxy-(2-methoxyphenyl)methylidene]imidazolidin-2-one;propanoic acid?
The InChIKey is FECJWIWYDNTHEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O3.C3H6O2/c1-5-7-10-15(6-2)14-22-17(13-21-20(22)23)19(25-4)16-11-8-9-12-18(16)24-3;1-2-3(4)5/h8-9,11-12,15H,5-7,10,13-14H2,1-4H3,(H,21,23);2H2,1H3,(H,4,5).
What are the key properties of 1-(2-ethylhexyl)-5-[methoxy-(2-methoxyphenyl)methylidene]imidazolidin-2-one;propanoic acid?
1-(2-ethylhexyl)-5-[methoxy-(2-methoxyphenyl)methylidene]imidazolidin-2-one;propanoic acid has a molecular weight of 420.55 g/mol, XLogP of 4.73, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylhexyl)-5-[methoxy-(2-methoxyphenyl)methylidene]imidazolidin-2-one;propanoic acid is sourced from PubChem (CID 130237911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).