(5R)-5-ethyl-3-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-5-phenylimidazolidine-2,4-dione

C19H19N3O4 — CID 135800290

IUPAC(5R)-5-ethyl-3-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-5-phenylimidazolidine-2,4-dione
SMILESCC[C@]1(c2ccccc2)NC(=O)N(/N=C/c2ccc(O)c(OC)c2)C1=O
InChIInChI=1S/C19H19N3O4/c1-3-19(14-7-5-4-6-8-14)17(24)22(18(25)21-19)20-12-13-9-10-15(23)16(11-13)26-2/h4-12,23H,3H2,1-2H3,(H,21,25)/b20-12+/t19-/m1/s1
InChIKeyHGEHHYWSPJTXTJ-FUNKKEAFSA-N
MW353.38 g/mol
LogP2.59
Rot. Bonds5

About (5R)-5-ethyl-3-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-5-phenylimidazolidine-2,4-dione

(5R)-5-ethyl-3-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-5-phenylimidazolidine-2,4-dione (PubChem CID 135800290) has the molecular formula C19H19N3O4 and a molecular weight of 353.38 g/mol. Its IUPAC name is (5R)-5-ethyl-3-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-5-phenylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-5-ethyl-3-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-5-phenylimidazolidine-2,4-dione
PubChem CID135800290
Molecular FormulaC19H19N3O4
Molecular Weight353.38 g/mol
Exact Mass353.14
IUPAC Name(5R)-5-ethyl-3-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-5-phenylimidazolidine-2,4-dione
SMILESCC[C@]1(c2ccccc2)NC(=O)N(/N=C/c2ccc(O)c(OC)c2)C1=O
InChIInChI=1S/C19H19N3O4/c1-3-19(14-7-5-4-6-8-14)17(24)22(18(25)21-19)20-12-13-9-10-15(23)16(11-13)26-2/h4-12,23H,3H2,1-2H3,(H,21,25)/b20-12+/t19-/m1/s1
InChIKeyHGEHHYWSPJTXTJ-FUNKKEAFSA-N
XLogP2.59
TPSA91.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

(5R)-5-ethyl-3-[(Z)-(3-hydroxy-4-methoxyphenyl)methylideneamino]-5-phenylimidazolidine-2,4-dione
CID 9296879
(5S)-5-ethyl-3-[(Z)-(3-hydroxy-4-methoxyphenyl)methylideneamino]-5-phenylimidazolidine-2,4-dione
CID 9296878
(5R)-3-[(E)-(3,4-dihydroxyphenyl)methylideneamino]-5-ethyl-5-phenylimidazolidine-2,4-dione
CID 135800304
(5S)-3-[(Z)-[3-(difluoromethoxy)-4-methoxyphenyl]methylideneamino]-5-ethyl-5-phenylimidazolidine-2,4-dione
CID 9297392
(5R)-5-ethyl-5-phenyl-3-[(Z)-(2,4,5-trimethoxyphenyl)methylideneamino]imidazolidine-2,4-dione
CID 9296728
(5R)-5-ethyl-3-[(Z)-(4-fluorophenyl)methylideneamino]-5-phenylimidazolidine-2,4-dione
CID 9296492
(5R)-5-ethyl-3-[(Z)-(7-methoxy-1,3-benzodioxol-5-yl)methylideneamino]-5-phenylimidazolidine-2,4-dione
CID 9297483
(5S)-3-[(Z)-(4-chlorophenyl)methylideneamino]-5-ethyl-5-phenylimidazolidine-2,4-dione
CID 9296437
(5R)-3-[(Z)-(5-bromo-2-methoxyphenyl)methylideneamino]-5-ethyl-5-phenylimidazolidine-2,4-dione
CID 9296822
4-[(Z)-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]iminomethyl]-2-nitrophenolate
CID 9297096
(5R)-3-[(Z)-[4-(difluoromethoxy)-3,5-dimethylphenyl]methylideneamino]-5-ethyl-5-phenylimidazolidine-2,4-dione
CID 9297488
(5S)-3-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-5-ethyl-5-methylimidazolidine-2,4-dione
CID 135852539

Frequently Asked Questions

What is the IUPAC name of (5R)-5-ethyl-3-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-5-phenylimidazolidine-2,4-dione?
The IUPAC name of (5R)-5-ethyl-3-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-5-phenylimidazolidine-2,4-dione (CID 135800290) is (5R)-5-ethyl-3-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-5-phenylimidazolidine-2,4-dione.
What is the SMILES notation for (5R)-5-ethyl-3-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-5-phenylimidazolidine-2,4-dione?
The canonical SMILES for (5R)-5-ethyl-3-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-5-phenylimidazolidine-2,4-dione is CC[C@]1(c2ccccc2)NC(=O)N(/N=C/c2ccc(O)c(OC)c2)C1=O.
What is the InChIKey of (5R)-5-ethyl-3-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-5-phenylimidazolidine-2,4-dione?
The InChIKey is HGEHHYWSPJTXTJ-FUNKKEAFSA-N. The full InChI is InChI=1S/C19H19N3O4/c1-3-19(14-7-5-4-6-8-14)17(24)22(18(25)21-19)20-12-13-9-10-15(23)16(11-13)26-2/h4-12,23H,3H2,1-2H3,(H,21,25)/b20-12+/t19-/m1/s1.
What are the key properties of (5R)-5-ethyl-3-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-5-phenylimidazolidine-2,4-dione?
(5R)-5-ethyl-3-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-5-phenylimidazolidine-2,4-dione has a molecular weight of 353.38 g/mol, XLogP of 2.59, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-ethyl-3-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-5-phenylimidazolidine-2,4-dione is sourced from PubChem (CID 135800290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).