ethyl 2-[bis(4-methylphenyl)methylideneamino]-2-hydroxyacetate

C19H21NO3 — CID 88793347

IUPACethyl 2-[bis(4-methylphenyl)methylideneamino]-2-hydroxyacetate
SMILESCCOC(=O)C(O)N=C(c1ccc(C)cc1)c1ccc(C)cc1
InChIInChI=1S/C19H21NO3/c1-4-23-19(22)18(21)20-17(15-9-5-13(2)6-10-15)16-11-7-14(3)8-12-16/h5-12,18,21H,4H2,1-3H3
InChIKeyLEWKGDGVIGTLHL-UHFFFAOYSA-N
MW311.38 g/mol
LogP3.02
Rot. Bonds5

About ethyl 2-[bis(4-methylphenyl)methylideneamino]-2-hydroxyacetate

ethyl 2-[bis(4-methylphenyl)methylideneamino]-2-hydroxyacetate (PubChem CID 88793347) has the molecular formula C19H21NO3 and a molecular weight of 311.38 g/mol. Its IUPAC name is ethyl 2-[bis(4-methylphenyl)methylideneamino]-2-hydroxyacetate.

Molecular Properties

Compound Nameethyl 2-[bis(4-methylphenyl)methylideneamino]-2-hydroxyacetate
PubChem CID88793347
Molecular FormulaC19H21NO3
Molecular Weight311.38 g/mol
Exact Mass311.15
IUPAC Nameethyl 2-[bis(4-methylphenyl)methylideneamino]-2-hydroxyacetate
SMILESCCOC(=O)C(O)N=C(c1ccc(C)cc1)c1ccc(C)cc1
InChIInChI=1S/C19H21NO3/c1-4-23-19(22)18(21)20-17(15-9-5-13(2)6-10-15)16-11-7-14(3)8-12-16/h5-12,18,21H,4H2,1-3H3
InChIKeyLEWKGDGVIGTLHL-UHFFFAOYSA-N
XLogP3.02
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze ethyl 2-[bis(4-methylphenyl)methylideneamino]-2-hydroxyacetate 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

ethyl 4-methylbenzoate;hydrochloride
CID 172804692
ethane;ethyl 4-methylbenzoate
CID 142095143
ethyl 4-[hydroxy-(4-methylphenyl)methyl]benzoate
CID 138971712
diethyl 2-[(4-methylbenzoyl)amino]propanedioate
CID 17447783
diethyl 2,3-dihydroxybutanedioate;2-(4-methylbenzoyl)-3-(4-methylphenyl)-3-oxopropanoic acid
CID 175293907
ethyl 2-(benzhydrylideneamino)pentanoate
CID 58898498
ethyl 2-hydroxy-4-(4-methylphenyl)but-3-ynoate
CID 118648324
2-ethoxycarbonylbutanoic acid;1,4-xylene
CID 175242664
ethyl 2-(4-methylbenzoyl)-4-oxopentanoate
CID 178031429
ethyl 2-(4-methylphenoxy)butanoate
CID 64662052
ethyl (Z)-6-amino-3-hydroxy-2-methyl-6-(4-methylphenyl)-4-oxohex-5-enoate
CID 101351750
ethyl 2-fluoro-2-(4-methylphenyl)acetate
CID 15712195

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[bis(4-methylphenyl)methylideneamino]-2-hydroxyacetate?
The IUPAC name of ethyl 2-[bis(4-methylphenyl)methylideneamino]-2-hydroxyacetate (CID 88793347) is ethyl 2-[bis(4-methylphenyl)methylideneamino]-2-hydroxyacetate.
What is the SMILES notation for ethyl 2-[bis(4-methylphenyl)methylideneamino]-2-hydroxyacetate?
The canonical SMILES for ethyl 2-[bis(4-methylphenyl)methylideneamino]-2-hydroxyacetate is CCOC(=O)C(O)N=C(c1ccc(C)cc1)c1ccc(C)cc1.
What is the InChIKey of ethyl 2-[bis(4-methylphenyl)methylideneamino]-2-hydroxyacetate?
The InChIKey is LEWKGDGVIGTLHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO3/c1-4-23-19(22)18(21)20-17(15-9-5-13(2)6-10-15)16-11-7-14(3)8-12-16/h5-12,18,21H,4H2,1-3H3.
What are the key properties of ethyl 2-[bis(4-methylphenyl)methylideneamino]-2-hydroxyacetate?
ethyl 2-[bis(4-methylphenyl)methylideneamino]-2-hydroxyacetate has a molecular weight of 311.38 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[bis(4-methylphenyl)methylideneamino]-2-hydroxyacetate is sourced from PubChem (CID 88793347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).