(5S)-3-[(Z)-(3-ethoxy-4-methoxyphenyl)methylideneamino]-5-methyl-5-(2-phenylethyl)imidazolidine-2,4-dione

C22H25N3O4 — CID 9349902

IUPAC(5S)-3-[(Z)-(3-ethoxy-4-methoxyphenyl)methylideneamino]-5-methyl-5-(2-phenylethyl)imidazolidine-2,4-dione
SMILESCCOc1cc(/C=N\N2C(=O)N[C@@](C)(CCc3ccccc3)C2=O)ccc1OC
InChIInChI=1S/C22H25N3O4/c1-4-29-19-14-17(10-11-18(19)28-3)15-23-25-20(26)22(2,24-21(25)27)13-12-16-8-6-5-7-9-16/h5-11,14-15H,4,12-13H2,1-3H3,(H,24,27)/b23-15-/t22-/m0/s1
InChIKeyGWUGKQDIFQJMRJ-PZLPMSIKSA-N
MW395.46 g/mol
LogP3.37
Rot. Bonds8

About (5S)-3-[(Z)-(3-ethoxy-4-methoxyphenyl)methylideneamino]-5-methyl-5-(2-phenylethyl)imidazolidine-2,4-dione

(5S)-3-[(Z)-(3-ethoxy-4-methoxyphenyl)methylideneamino]-5-methyl-5-(2-phenylethyl)imidazolidine-2,4-dione (PubChem CID 9349902) has the molecular formula C22H25N3O4 and a molecular weight of 395.46 g/mol. Its IUPAC name is (5S)-3-[(Z)-(3-ethoxy-4-methoxyphenyl)methylideneamino]-5-methyl-5-(2-phenylethyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-3-[(Z)-(3-ethoxy-4-methoxyphenyl)methylideneamino]-5-methyl-5-(2-phenylethyl)imidazolidine-2,4-dione
PubChem CID9349902
Molecular FormulaC22H25N3O4
Molecular Weight395.46 g/mol
Exact Mass395.18
IUPAC Name(5S)-3-[(Z)-(3-ethoxy-4-methoxyphenyl)methylideneamino]-5-methyl-5-(2-phenylethyl)imidazolidine-2,4-dione
SMILESCCOc1cc(/C=N\N2C(=O)N[C@@](C)(CCc3ccccc3)C2=O)ccc1OC
InChIInChI=1S/C22H25N3O4/c1-4-29-19-14-17(10-11-18(19)28-3)15-23-25-20(26)22(2,24-21(25)27)13-12-16-8-6-5-7-9-16/h5-11,14-15H,4,12-13H2,1-3H3,(H,24,27)/b23-15-/t22-/m0/s1
InChIKeyGWUGKQDIFQJMRJ-PZLPMSIKSA-N
XLogP3.37
TPSA80.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

(5S)-3-[(Z)-(3-methoxyphenyl)methylideneamino]-5-methyl-5-(2-phenylethyl)imidazolidine-2,4-dione
CID 9349778
(5R)-3-[(Z)-(3,5-dimethoxyphenyl)methylideneamino]-5-methyl-5-(2-phenylethyl)imidazolidine-2,4-dione
CID 9349951
(5S)-3-[(Z)-(3,5-dimethoxyphenyl)methylideneamino]-5-methyl-5-(2-phenylethyl)imidazolidine-2,4-dione
CID 9349946
2-methoxy-4-[(Z)-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]iminomethyl]-6-nitrophenolate
CID 9349944
(5S)-3-[(Z)-(4-anilinophenyl)methylideneamino]-5-methyl-5-(2-phenylethyl)imidazolidine-2,4-dione
CID 9045219
(5S)-5-methyl-5-(2-phenylethyl)-3-[(Z)-(4-propan-2-ylphenyl)methylideneamino]imidazolidine-2,4-dione
CID 9349777
(5R)-3-[(Z)-(4-ethyl-3-nitrophenyl)methylideneamino]-5-methyl-5-(2-phenylethyl)imidazolidine-2,4-dione
CID 9349922
(5S)-3-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-5-ethyl-5-methylimidazolidine-2,4-dione
CID 135852539
(5R)-3-[(Z)-(2,6-difluorophenyl)methylideneamino]-5-methyl-5-(2-phenylethyl)imidazolidine-2,4-dione
CID 9349955
(5S)-5-methyl-3-[(Z)-naphthalen-1-ylmethylideneamino]-5-(2-phenylethyl)imidazolidine-2,4-dione
CID 9349665
(5S)-5-methyl-3-[(Z)-(2-nitrophenyl)methylideneamino]-5-(2-phenylethyl)imidazolidine-2,4-dione
CID 9349708
(5R)-3-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-5-methyl-5-(2-phenylethyl)imidazolidine-2,4-dione
CID 135574391

Frequently Asked Questions

What is the IUPAC name of (5S)-3-[(Z)-(3-ethoxy-4-methoxyphenyl)methylideneamino]-5-methyl-5-(2-phenylethyl)imidazolidine-2,4-dione?
The IUPAC name of (5S)-3-[(Z)-(3-ethoxy-4-methoxyphenyl)methylideneamino]-5-methyl-5-(2-phenylethyl)imidazolidine-2,4-dione (CID 9349902) is (5S)-3-[(Z)-(3-ethoxy-4-methoxyphenyl)methylideneamino]-5-methyl-5-(2-phenylethyl)imidazolidine-2,4-dione.
What is the SMILES notation for (5S)-3-[(Z)-(3-ethoxy-4-methoxyphenyl)methylideneamino]-5-methyl-5-(2-phenylethyl)imidazolidine-2,4-dione?
The canonical SMILES for (5S)-3-[(Z)-(3-ethoxy-4-methoxyphenyl)methylideneamino]-5-methyl-5-(2-phenylethyl)imidazolidine-2,4-dione is CCOc1cc(/C=N\N2C(=O)N[C@@](C)(CCc3ccccc3)C2=O)ccc1OC.
What is the InChIKey of (5S)-3-[(Z)-(3-ethoxy-4-methoxyphenyl)methylideneamino]-5-methyl-5-(2-phenylethyl)imidazolidine-2,4-dione?
The InChIKey is GWUGKQDIFQJMRJ-PZLPMSIKSA-N. The full InChI is InChI=1S/C22H25N3O4/c1-4-29-19-14-17(10-11-18(19)28-3)15-23-25-20(26)22(2,24-21(25)27)13-12-16-8-6-5-7-9-16/h5-11,14-15H,4,12-13H2,1-3H3,(H,24,27)/b23-15-/t22-/m0/s1.
What are the key properties of (5S)-3-[(Z)-(3-ethoxy-4-methoxyphenyl)methylideneamino]-5-methyl-5-(2-phenylethyl)imidazolidine-2,4-dione?
(5S)-3-[(Z)-(3-ethoxy-4-methoxyphenyl)methylideneamino]-5-methyl-5-(2-phenylethyl)imidazolidine-2,4-dione has a molecular weight of 395.46 g/mol, XLogP of 3.37, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3-[(Z)-(3-ethoxy-4-methoxyphenyl)methylideneamino]-5-methyl-5-(2-phenylethyl)imidazolidine-2,4-dione is sourced from PubChem (CID 9349902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).