1-ethyl-3-hexyl-5-[methoxy-(2-methoxyphenyl)methylidene]imidazolidine-2,4-dione

C20H28N2O4 — CID 67140706

IUPAC1-ethyl-3-hexyl-5-[methoxy-(2-methoxyphenyl)methylidene]imidazolidine-2,4-dione
SMILESCCCCCCN1C(=O)C(=C(OC)c2ccccc2OC)N(CC)C1=O
InChIInChI=1S/C20H28N2O4/c1-5-7-8-11-14-22-19(23)17(21(6-2)20(22)24)18(26-4)15-12-9-10-13-16(15)25-3/h9-10,12-13H,5-8,11,14H2,1-4H3
InChIKeySVUPZHHCLUDGKU-UHFFFAOYSA-N
MW360.45 g/mol
LogP3.87
Rot. Bonds9

About 1-ethyl-3-hexyl-5-[methoxy-(2-methoxyphenyl)methylidene]imidazolidine-2,4-dione

1-ethyl-3-hexyl-5-[methoxy-(2-methoxyphenyl)methylidene]imidazolidine-2,4-dione (PubChem CID 67140706) has the molecular formula C20H28N2O4 and a molecular weight of 360.45 g/mol. Its IUPAC name is 1-ethyl-3-hexyl-5-[methoxy-(2-methoxyphenyl)methylidene]imidazolidine-2,4-dione.

Molecular Properties

Compound Name1-ethyl-3-hexyl-5-[methoxy-(2-methoxyphenyl)methylidene]imidazolidine-2,4-dione
PubChem CID67140706
Molecular FormulaC20H28N2O4
Molecular Weight360.45 g/mol
Exact Mass360.20
IUPAC Name1-ethyl-3-hexyl-5-[methoxy-(2-methoxyphenyl)methylidene]imidazolidine-2,4-dione
SMILESCCCCCCN1C(=O)C(=C(OC)c2ccccc2OC)N(CC)C1=O
InChIInChI=1S/C20H28N2O4/c1-5-7-8-11-14-22-19(23)17(21(6-2)20(22)24)18(26-4)15-12-9-10-13-16(15)25-3/h9-10,12-13H,5-8,11,14H2,1-4H3
InChIKeySVUPZHHCLUDGKU-UHFFFAOYSA-N
XLogP3.87
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.45
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

1-(2-methoxyphenyl)undecan-1-one
CID 63411736
2-methoxy-N-tridecylbenzamide
CID 139819873
(2-methoxyphenyl) octanoate
CID 68908014
(2-methoxyphenyl) dodecanoate
CID 139927041
3-(2-ethylhexyl)-5-[methoxy-(2-methoxyphenyl)methylidene]imidazolidine-2,4-dione
CID 66789831
5-[methoxy-(2-methoxyphenyl)methylidene]-3-octan-3-ylimidazolidine-2,4-dione;propanoic acid
CID 67009674
N-[1-(1-dodecylbenzimidazol-2-yl)ethyl]-2-methoxybenzamide
CID 16967951
3-(N-ethylanilino)-1-hexyl-4-(2-methoxyphenyl)pyrrole-2,5-dione
CID 110566335
3-(2-methoxyphenyl)-1-octyl-4-pyrrolidin-1-ylpyrrole-2,5-dione
CID 110566520
1,3-bis(2-methoxyphenyl)propane-1,3-dione
CID 15664665
1,3-diheptyl-1,3-diazetidine-2,4-dione
CID 18730690
1-butyl-3-[2-(2,4-dimethoxyphenyl)-2-oxoethyl]imidazolidine-2,4,5-trione
CID 7738319

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-hexyl-5-[methoxy-(2-methoxyphenyl)methylidene]imidazolidine-2,4-dione?
The IUPAC name of 1-ethyl-3-hexyl-5-[methoxy-(2-methoxyphenyl)methylidene]imidazolidine-2,4-dione (CID 67140706) is 1-ethyl-3-hexyl-5-[methoxy-(2-methoxyphenyl)methylidene]imidazolidine-2,4-dione.
What is the SMILES notation for 1-ethyl-3-hexyl-5-[methoxy-(2-methoxyphenyl)methylidene]imidazolidine-2,4-dione?
The canonical SMILES for 1-ethyl-3-hexyl-5-[methoxy-(2-methoxyphenyl)methylidene]imidazolidine-2,4-dione is CCCCCCN1C(=O)C(=C(OC)c2ccccc2OC)N(CC)C1=O.
What is the InChIKey of 1-ethyl-3-hexyl-5-[methoxy-(2-methoxyphenyl)methylidene]imidazolidine-2,4-dione?
The InChIKey is SVUPZHHCLUDGKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O4/c1-5-7-8-11-14-22-19(23)17(21(6-2)20(22)24)18(26-4)15-12-9-10-13-16(15)25-3/h9-10,12-13H,5-8,11,14H2,1-4H3.
What are the key properties of 1-ethyl-3-hexyl-5-[methoxy-(2-methoxyphenyl)methylidene]imidazolidine-2,4-dione?
1-ethyl-3-hexyl-5-[methoxy-(2-methoxyphenyl)methylidene]imidazolidine-2,4-dione has a molecular weight of 360.45 g/mol, XLogP of 3.87, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-hexyl-5-[methoxy-(2-methoxyphenyl)methylidene]imidazolidine-2,4-dione is sourced from PubChem (CID 67140706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).