3-(2-ethylhexyl)-5-[methoxy-(2-methoxyphenyl)methylidene]imidazolidine-2,4-dione

C20H28N2O4 — CID 66789831

IUPAC3-(2-ethylhexyl)-5-[methoxy-(2-methoxyphenyl)methylidene]imidazolidine-2,4-dione
SMILESCCCCC(CC)CN1C(=O)NC(=C(OC)c2ccccc2OC)C1=O
InChIInChI=1S/C20H28N2O4/c1-5-7-10-14(6-2)13-22-19(23)17(21-20(22)24)18(26-4)15-11-8-9-12-16(15)25-3/h8-9,11-12,14H,5-7,10,13H2,1-4H3,(H,21,24)
InChIKeyWQYNFIZFWSYXIN-UHFFFAOYSA-N
MW360.45 g/mol
LogP3.78
Rot. Bonds9

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

3-(2-ethylhexyl)-5-[methoxy-(2-methoxyphenyl)methylidene]imidazolidine-2,4-dione (PubChem CID 66789831) has the molecular formula C20H28N2O4 and a molecular weight of 360.45 g/mol. Its IUPAC name is 3-(2-ethylhexyl)-5-[methoxy-(2-methoxyphenyl)methylidene]imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-(2-ethylhexyl)-5-[methoxy-(2-methoxyphenyl)methylidene]imidazolidine-2,4-dione
PubChem CID66789831
Molecular FormulaC20H28N2O4
Molecular Weight360.45 g/mol
Exact Mass360.20
IUPAC Name3-(2-ethylhexyl)-5-[methoxy-(2-methoxyphenyl)methylidene]imidazolidine-2,4-dione
SMILESCCCCC(CC)CN1C(=O)NC(=C(OC)c2ccccc2OC)C1=O
InChIInChI=1S/C20H28N2O4/c1-5-7-10-14(6-2)13-22-19(23)17(21-20(22)24)18(26-4)15-11-8-9-12-16(15)25-3/h8-9,11-12,14H,5-7,10,13H2,1-4H3,(H,21,24)
InChIKeyWQYNFIZFWSYXIN-UHFFFAOYSA-N
XLogP3.78
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.45
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

5-[methoxy-(2-methoxyphenyl)methylidene]-3-octan-3-ylimidazolidine-2,4-dione;propanoic acid
CID 67009674
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-[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
6,13-bis(2-ethylhexyl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone
CID 16717830
5-benzylidene-1-(2-ethylhexyl)imidazolidine-2,4-dione
CID 146469778
1-(2-ethylhexyl)-2-methoxybenzene
CID 160716483
2-(2-ethylhexyl)-3-hydroxy-6-methyl-3H-isoindol-1-one
CID 170439962
2-(2-ethylhexyl)-6-octoxy-7-phenylbenzo[de]isoquinoline-1,3-dione
CID 137492216
2-(2-ethylhexyl)-6,7-dimethylbenzo[de]isoquinoline-1,3-dione
CID 157287985
7,18-bis(2-ethylhexyl)-11,22-diphenyl-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2,4,9,11,13(23),14,16(24),20,25-decaene-6,8,17,19-tetrone
CID 122395305

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethylhexyl)-5-[methoxy-(2-methoxyphenyl)methylidene]imidazolidine-2,4-dione?
The IUPAC name of 3-(2-ethylhexyl)-5-[methoxy-(2-methoxyphenyl)methylidene]imidazolidine-2,4-dione (CID 66789831) is 3-(2-ethylhexyl)-5-[methoxy-(2-methoxyphenyl)methylidene]imidazolidine-2,4-dione.
What is the SMILES notation for 3-(2-ethylhexyl)-5-[methoxy-(2-methoxyphenyl)methylidene]imidazolidine-2,4-dione?
The canonical SMILES for 3-(2-ethylhexyl)-5-[methoxy-(2-methoxyphenyl)methylidene]imidazolidine-2,4-dione is CCCCC(CC)CN1C(=O)NC(=C(OC)c2ccccc2OC)C1=O.
What is the InChIKey of 3-(2-ethylhexyl)-5-[methoxy-(2-methoxyphenyl)methylidene]imidazolidine-2,4-dione?
The InChIKey is WQYNFIZFWSYXIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O4/c1-5-7-10-14(6-2)13-22-19(23)17(21-20(22)24)18(26-4)15-11-8-9-12-16(15)25-3/h8-9,11-12,14H,5-7,10,13H2,1-4H3,(H,21,24).
What are the key properties of 3-(2-ethylhexyl)-5-[methoxy-(2-methoxyphenyl)methylidene]imidazolidine-2,4-dione?
3-(2-ethylhexyl)-5-[methoxy-(2-methoxyphenyl)methylidene]imidazolidine-2,4-dione has a molecular weight of 360.45 g/mol, XLogP of 3.78, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethylhexyl)-5-[methoxy-(2-methoxyphenyl)methylidene]imidazolidine-2,4-dione is sourced from PubChem (CID 66789831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).