5-ethyl-3-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]-5-methylimidazolidine-2,4-dione

C15H19N3O5 — CID 135520060

IUPAC5-ethyl-3-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]-5-methylimidazolidine-2,4-dione
SMILESCCC1(C)NC(=O)N(/N=C/c2cc(OC)c(O)c(OC)c2)C1=O
InChIInChI=1S/C15H19N3O5/c1-5-15(2)13(20)18(14(21)17-15)16-8-9-6-10(22-3)12(19)11(7-9)23-4/h6-8,19H,5H2,1-4H3,(H,17,21)/b16-8+
InChIKeyFQJPKXMUQPLVCH-LZYBPNLTSA-N
MW321.33 g/mol
LogP1.46
Rot. Bonds5

About 5-ethyl-3-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]-5-methylimidazolidine-2,4-dione

5-ethyl-3-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]-5-methylimidazolidine-2,4-dione (PubChem CID 135520060) has the molecular formula C15H19N3O5 and a molecular weight of 321.33 g/mol. Its IUPAC name is 5-ethyl-3-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name5-ethyl-3-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]-5-methylimidazolidine-2,4-dione
PubChem CID135520060
Molecular FormulaC15H19N3O5
Molecular Weight321.33 g/mol
Exact Mass321.13
IUPAC Name5-ethyl-3-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]-5-methylimidazolidine-2,4-dione
SMILESCCC1(C)NC(=O)N(/N=C/c2cc(OC)c(O)c(OC)c2)C1=O
InChIInChI=1S/C15H19N3O5/c1-5-15(2)13(20)18(14(21)17-15)16-8-9-6-10(22-3)12(19)11(7-9)23-4/h6-8,19H,5H2,1-4H3,(H,17,21)/b16-8+
InChIKeyFQJPKXMUQPLVCH-LZYBPNLTSA-N
XLogP1.46
TPSA100.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.33
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-[(3,5-Dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-YL)amino]-N'-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylidene]propanohydrazide
CID 135412061
3-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 135501956
2-sulfanylidene-3-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]imidazolidin-4-one
CID 172444315
3-[(E)-(4-ethoxy-2-hydroxyphenyl)methylideneamino]-5-ethyl-5-methylimidazolidine-2,4-dione
CID 135614075
2-[(3,5-Dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-YL)amino]-N'-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylidene]acetohydrazide
CID 135412041
3-[(3,4,5-Trimethoxybenzylidene)amino]-4-oxoimidazolidin-2-thione
CID 129864911
3-[[4-(Difluoromethoxy)-3-methoxyphenyl]methylideneamino]-5-ethyl-5-methylimidazolidine-2,4-dione
CID 3913853
1-[(Z)-[4-(difluoromethoxy)-3,5-dimethoxyphenyl]methylideneamino]imidazolidine-2,4-dione
CID 9351335
3-[(Z)-[4-(difluoromethoxy)-3,5-dimethoxyphenyl]methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 9515597
3-[(E)-[4-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]-5-ethyl-5-methylimidazolidine-2,4-dione
CID 42995801
(5S)-5-[4-(difluoromethoxy)phenyl]-3-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]-5-methylimidazolidine-2,4-dione
CID 135562569
(5R)-5-[4-(difluoromethoxy)phenyl]-3-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]-5-methylimidazolidine-2,4-dione
CID 135852725

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-3-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]-5-methylimidazolidine-2,4-dione?
The IUPAC name of 5-ethyl-3-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]-5-methylimidazolidine-2,4-dione (CID 135520060) is 5-ethyl-3-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for 5-ethyl-3-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]-5-methylimidazolidine-2,4-dione?
The canonical SMILES for 5-ethyl-3-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]-5-methylimidazolidine-2,4-dione is CCC1(C)NC(=O)N(/N=C/c2cc(OC)c(O)c(OC)c2)C1=O.
What is the InChIKey of 5-ethyl-3-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]-5-methylimidazolidine-2,4-dione?
The InChIKey is FQJPKXMUQPLVCH-LZYBPNLTSA-N. The full InChI is InChI=1S/C15H19N3O5/c1-5-15(2)13(20)18(14(21)17-15)16-8-9-6-10(22-3)12(19)11(7-9)23-4/h6-8,19H,5H2,1-4H3,(H,17,21)/b16-8+.
What are the key properties of 5-ethyl-3-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]-5-methylimidazolidine-2,4-dione?
5-ethyl-3-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]-5-methylimidazolidine-2,4-dione has a molecular weight of 321.33 g/mol, XLogP of 1.46, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-3-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 135520060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).