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

C16H21N3O4 — CID 135562512

IUPAC(5S)-5-ethyl-3-[(E)-(2-hydroxy-4-propoxyphenyl)methylideneamino]-5-methylimidazolidine-2,4-dione
SMILESCCCOc1ccc(/C=N/N2C(=O)N[C@@](C)(CC)C2=O)c(O)c1
InChIInChI=1S/C16H21N3O4/c1-4-8-23-12-7-6-11(13(20)9-12)10-17-19-14(21)16(3,5-2)18-15(19)22/h6-7,9-10,20H,4-5,8H2,1-3H3,(H,18,22)/b17-10+/t16-/m0/s1
InChIKeyLTUZJMHYLUWYOD-KFXAOSDLSA-N
MW319.36 g/mol
LogP2.24
Rot. Bonds6

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

(5S)-5-ethyl-3-[(E)-(2-hydroxy-4-propoxyphenyl)methylideneamino]-5-methylimidazolidine-2,4-dione (PubChem CID 135562512) has the molecular formula C16H21N3O4 and a molecular weight of 319.36 g/mol. Its IUPAC name is (5S)-5-ethyl-3-[(E)-(2-hydroxy-4-propoxyphenyl)methylideneamino]-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-5-ethyl-3-[(E)-(2-hydroxy-4-propoxyphenyl)methylideneamino]-5-methylimidazolidine-2,4-dione
PubChem CID135562512
Molecular FormulaC16H21N3O4
Molecular Weight319.36 g/mol
Exact Mass319.15
IUPAC Name(5S)-5-ethyl-3-[(E)-(2-hydroxy-4-propoxyphenyl)methylideneamino]-5-methylimidazolidine-2,4-dione
SMILESCCCOc1ccc(/C=N/N2C(=O)N[C@@](C)(CC)C2=O)c(O)c1
InChIInChI=1S/C16H21N3O4/c1-4-8-23-12-7-6-11(13(20)9-12)10-17-19-14(21)16(3,5-2)18-15(19)22/h6-7,9-10,20H,4-5,8H2,1-3H3,(H,18,22)/b17-10+/t16-/m0/s1
InChIKeyLTUZJMHYLUWYOD-KFXAOSDLSA-N
XLogP2.24
TPSA91.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze (5S)-5-ethyl-3-[(E)-(2-hydroxy-4-propoxyphenyl)methylideneamino]-5-methylimidazolidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5R)-3-[(E)-(2-hydroxy-4-propoxyphenyl)methylideneamino]-5-methyl-5-phenylimidazolidine-2,4-dione
CID 135673713
3-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-5-ethyl-5-methylimidazolidine-2,4-dione
CID 135558475
2-[(E)-(2-hydroxy-4-propoxyphenyl)methylideneamino]isoindole-1,3-dione
CID 135852605
3-[(E)-(5-bromo-2-fluorophenyl)methylideneamino]-5-ethyl-5-methylimidazolidine-2,4-dione
CID 42912678
(5S)-3-[(3,5-ditert-butyl-4-hydroxyphenyl)methylideneamino]-5-ethyl-5-methylimidazolidine-2,4-dione
CID 2695701
2-[(4-nitrophenyl)iminomethyl]-5-propoxyphenol
CID 135609186
(5R)-3-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-5-methyl-5-(2-phenylethyl)imidazolidine-2,4-dione
CID 135574391
2-[(2-hydroxy-4-propoxyphenyl)methylideneamino]guanidine
CID 2387794
2-(4-fluoroanilino)-N-[(Z)-(2-hydroxy-4-propoxyphenyl)methylideneamino]acetamide
CID 135884871
(5R)-3-[(2,6-difluorophenyl)methylideneamino]-5-ethyl-5-methylimidazolidine-2,4-dione
CID 2644230
2-[[(1R)-1-phenylethyl]iminomethyl]-5-propoxyphenol
CID 135682513
2-[(4-ethylphenyl)iminomethyl]-5-propoxyphenol
CID 135699896

Frequently Asked Questions

What is the IUPAC name of (5S)-5-ethyl-3-[(E)-(2-hydroxy-4-propoxyphenyl)methylideneamino]-5-methylimidazolidine-2,4-dione?
The IUPAC name of (5S)-5-ethyl-3-[(E)-(2-hydroxy-4-propoxyphenyl)methylideneamino]-5-methylimidazolidine-2,4-dione (CID 135562512) is (5S)-5-ethyl-3-[(E)-(2-hydroxy-4-propoxyphenyl)methylideneamino]-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for (5S)-5-ethyl-3-[(E)-(2-hydroxy-4-propoxyphenyl)methylideneamino]-5-methylimidazolidine-2,4-dione?
The canonical SMILES for (5S)-5-ethyl-3-[(E)-(2-hydroxy-4-propoxyphenyl)methylideneamino]-5-methylimidazolidine-2,4-dione is CCCOc1ccc(/C=N/N2C(=O)N[C@@](C)(CC)C2=O)c(O)c1.
What is the InChIKey of (5S)-5-ethyl-3-[(E)-(2-hydroxy-4-propoxyphenyl)methylideneamino]-5-methylimidazolidine-2,4-dione?
The InChIKey is LTUZJMHYLUWYOD-KFXAOSDLSA-N. The full InChI is InChI=1S/C16H21N3O4/c1-4-8-23-12-7-6-11(13(20)9-12)10-17-19-14(21)16(3,5-2)18-15(19)22/h6-7,9-10,20H,4-5,8H2,1-3H3,(H,18,22)/b17-10+/t16-/m0/s1.
What are the key properties of (5S)-5-ethyl-3-[(E)-(2-hydroxy-4-propoxyphenyl)methylideneamino]-5-methylimidazolidine-2,4-dione?
(5S)-5-ethyl-3-[(E)-(2-hydroxy-4-propoxyphenyl)methylideneamino]-5-methylimidazolidine-2,4-dione has a molecular weight of 319.36 g/mol, XLogP of 2.24, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-ethyl-3-[(E)-(2-hydroxy-4-propoxyphenyl)methylideneamino]-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 135562512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).