(5R)-3-[(Z)-[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methylideneamino]-5-ethyl-5-phenylimidazolidine-2,4-dione

C23H25N3O4 — CID 9297403

IUPAC(5R)-3-[(Z)-[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methylideneamino]-5-ethyl-5-phenylimidazolidine-2,4-dione
SMILESCCOc1cc2c(cc1/C=N\N1C(=O)N[C@](CC)(c3ccccc3)C1=O)O[C@@H](C)C2
InChIInChI=1S/C23H25N3O4/c1-4-23(18-9-7-6-8-10-18)21(27)26(22(28)25-23)24-14-17-13-20-16(11-15(3)30-20)12-19(17)29-5-2/h6-10,12-15H,4-5,11H2,1-3H3,(H,25,28)/b24-14-/t15-,23+/m0/s1
InChIKeyOUWRUQLHYVETDB-YVNFOTMHSA-N
MW407.47 g/mol
LogP3.60
Rot. Bonds6

About (5R)-3-[(Z)-[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methylideneamino]-5-ethyl-5-phenylimidazolidine-2,4-dione

(5R)-3-[(Z)-[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methylideneamino]-5-ethyl-5-phenylimidazolidine-2,4-dione (PubChem CID 9297403) has the molecular formula C23H25N3O4 and a molecular weight of 407.47 g/mol. Its IUPAC name is (5R)-3-[(Z)-[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methylideneamino]-5-ethyl-5-phenylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-3-[(Z)-[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methylideneamino]-5-ethyl-5-phenylimidazolidine-2,4-dione
PubChem CID9297403
Molecular FormulaC23H25N3O4
Molecular Weight407.47 g/mol
Exact Mass407.18
IUPAC Name(5R)-3-[(Z)-[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methylideneamino]-5-ethyl-5-phenylimidazolidine-2,4-dione
SMILESCCOc1cc2c(cc1/C=N\N1C(=O)N[C@](CC)(c3ccccc3)C1=O)O[C@@H](C)C2
InChIInChI=1S/C23H25N3O4/c1-4-23(18-9-7-6-8-10-18)21(27)26(22(28)25-23)24-14-17-13-20-16(11-15(3)30-20)12-19(17)29-5-2/h6-10,12-15H,4-5,11H2,1-3H3,(H,25,28)/b24-14-/t15-,23+/m0/s1
InChIKeyOUWRUQLHYVETDB-YVNFOTMHSA-N
XLogP3.60
TPSA80.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 53.60
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'}

Analyze (5R)-3-[(Z)-[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methylideneamino]-5-ethyl-5-phenylimidazolidine-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)-5-ethyl-5-phenyl-3-[(Z)-(2,4,5-trimethoxyphenyl)methylideneamino]imidazolidine-2,4-dione
CID 9296728
(NZ)-N-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methylidene]hydroxylamine
CID 94671581
(5R)-3-[(Z)-(5-bromo-2-methoxyphenyl)methylideneamino]-5-ethyl-5-phenylimidazolidine-2,4-dione
CID 9296822
N-[(Z)-[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methylideneamino]-4-oxo-3H-phthalazine-1-carboxamide
CID 9176997
(5R)-5-ethyl-3-[(Z)-(4-fluorophenyl)methylideneamino]-5-phenylimidazolidine-2,4-dione
CID 9296492
4-[(2Z)-2-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methylidene]hydrazinyl]benzoic acid
CID 9013025
2-[(E)-[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methylideneamino]guanidine
CID 97305702
2-[(E)-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methylideneamino]guanidine
CID 60641974
4-[(Z)-[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methylideneamino]-3-(trifluoromethyl)-1H-1,2,4-triazole-5-thione
CID 9358941
(5R)-3-[(Z)-[2,5-dimethyl-1-[[(2S)-oxolan-2-yl]methyl]pyrrol-3-yl]methylideneamino]-5-ethyl-5-phenylimidazolidine-2,4-dione
CID 9297373
(5S)-3-[(Z)-(4-chlorophenyl)methylideneamino]-5-ethyl-5-phenylimidazolidine-2,4-dione
CID 9296437
(5R)-5-ethyl-3-[(Z)-(3-hydroxy-4-methoxyphenyl)methylideneamino]-5-phenylimidazolidine-2,4-dione
CID 9296879

Frequently Asked Questions

What is the IUPAC name of (5R)-3-[(Z)-[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methylideneamino]-5-ethyl-5-phenylimidazolidine-2,4-dione?
The IUPAC name of (5R)-3-[(Z)-[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methylideneamino]-5-ethyl-5-phenylimidazolidine-2,4-dione (CID 9297403) is (5R)-3-[(Z)-[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methylideneamino]-5-ethyl-5-phenylimidazolidine-2,4-dione.
What is the SMILES notation for (5R)-3-[(Z)-[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methylideneamino]-5-ethyl-5-phenylimidazolidine-2,4-dione?
The canonical SMILES for (5R)-3-[(Z)-[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methylideneamino]-5-ethyl-5-phenylimidazolidine-2,4-dione is CCOc1cc2c(cc1/C=N\N1C(=O)N[C@](CC)(c3ccccc3)C1=O)O[C@@H](C)C2.
What is the InChIKey of (5R)-3-[(Z)-[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methylideneamino]-5-ethyl-5-phenylimidazolidine-2,4-dione?
The InChIKey is OUWRUQLHYVETDB-YVNFOTMHSA-N. The full InChI is InChI=1S/C23H25N3O4/c1-4-23(18-9-7-6-8-10-18)21(27)26(22(28)25-23)24-14-17-13-20-16(11-15(3)30-20)12-19(17)29-5-2/h6-10,12-15H,4-5,11H2,1-3H3,(H,25,28)/b24-14-/t15-,23+/m0/s1.
What are the key properties of (5R)-3-[(Z)-[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methylideneamino]-5-ethyl-5-phenylimidazolidine-2,4-dione?
(5R)-3-[(Z)-[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methylideneamino]-5-ethyl-5-phenylimidazolidine-2,4-dione has a molecular weight of 407.47 g/mol, XLogP of 3.60, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-[(Z)-[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methylideneamino]-5-ethyl-5-phenylimidazolidine-2,4-dione is sourced from PubChem (CID 9297403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).