ethyl 2-[2-[2-(dimethylamino)ethoxy]-4-methylanilino]-4-oxofuran-3-carboxylate

C18H24N2O5 — CID 86708339

IUPACethyl 2-[2-[2-(dimethylamino)ethoxy]-4-methylanilino]-4-oxofuran-3-carboxylate
SMILESCCOC(=O)C1=C(Nc2ccc(C)cc2OCCN(C)C)OCC1=O
InChIInChI=1S/C18H24N2O5/c1-5-23-18(22)16-14(21)11-25-17(16)19-13-7-6-12(2)10-15(13)24-9-8-20(3)4/h6-7,10,19H,5,8-9,11H2,1-4H3
InChIKeyUAANZDIUJMINPM-UHFFFAOYSA-N
MW348.40 g/mol
LogP1.72
Rot. Bonds8

About ethyl 2-[2-[2-(dimethylamino)ethoxy]-4-methylanilino]-4-oxofuran-3-carboxylate

ethyl 2-[2-[2-(dimethylamino)ethoxy]-4-methylanilino]-4-oxofuran-3-carboxylate (PubChem CID 86708339) has the molecular formula C18H24N2O5 and a molecular weight of 348.40 g/mol. Its IUPAC name is ethyl 2-[2-[2-(dimethylamino)ethoxy]-4-methylanilino]-4-oxofuran-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-[2-[2-(dimethylamino)ethoxy]-4-methylanilino]-4-oxofuran-3-carboxylate
PubChem CID86708339
Molecular FormulaC18H24N2O5
Molecular Weight348.40 g/mol
Exact Mass348.17
IUPAC Nameethyl 2-[2-[2-(dimethylamino)ethoxy]-4-methylanilino]-4-oxofuran-3-carboxylate
SMILESCCOC(=O)C1=C(Nc2ccc(C)cc2OCCN(C)C)OCC1=O
InChIInChI=1S/C18H24N2O5/c1-5-23-18(22)16-14(21)11-25-17(16)19-13-7-6-12(2)10-15(13)24-9-8-20(3)4/h6-7,10,19H,5,8-9,11H2,1-4H3
InChIKeyUAANZDIUJMINPM-UHFFFAOYSA-N
XLogP1.72
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

Analyze ethyl 2-[2-[2-(dimethylamino)ethoxy]-4-methylanilino]-4-oxofuran-3-carboxylate 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 2-(4-chloro-2-methylanilino)-4-oxofuran-3-carboxylate
CID 118194872
2-amino-N-[2-[2-(dimethylamino)ethoxy]-4-methylphenyl]acetamide
CID 119889464
ethyl 2-[2-(dimethylamino)ethyl-methylamino]-4-oxofuran-3-carboxylate
CID 86708405
5-amino-N-[2-[2-(dimethylamino)ethoxy]-4-methylphenyl]-2-methylbenzamide
CID 120647067
ethyl 4-oxo-2-(4-phenylmethoxyanilino)furan-3-carboxylate
CID 139075631
potassium;ethyl 2-(3-nitroanilino)-4-oxofuran-3-carboxylate;hydride
CID 173403446
ethyl 3-[2-(dimethylamino)ethoxy]-4-hydroxybenzoate;hydrochloride
CID 23160711
2-(2-methoxy-4-methylphenoxy)-N,N-dimethylethanamine;oxalic acid
CID 2936004
ethyl 2-[(4-hydroxycyclohexyl)amino]-4-oxofuran-3-carboxylate
CID 86708360
2-[2-(dimethylamino)ethoxy]-4-methyl-N-[(4-methylsulfinylphenyl)methyl]aniline
CID 71913381
ethyl 4-oxo-2-[[(1R,2S)-2-phenylcyclopropyl]amino]furan-3-carboxylate
CID 70401985
2-[2-(dimethylamino)ethoxy]-4-methylbenzenesulfonic acid
CID 87290604

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[2-(dimethylamino)ethoxy]-4-methylanilino]-4-oxofuran-3-carboxylate?
The IUPAC name of ethyl 2-[2-[2-(dimethylamino)ethoxy]-4-methylanilino]-4-oxofuran-3-carboxylate (CID 86708339) is ethyl 2-[2-[2-(dimethylamino)ethoxy]-4-methylanilino]-4-oxofuran-3-carboxylate.
What is the SMILES notation for ethyl 2-[2-[2-(dimethylamino)ethoxy]-4-methylanilino]-4-oxofuran-3-carboxylate?
The canonical SMILES for ethyl 2-[2-[2-(dimethylamino)ethoxy]-4-methylanilino]-4-oxofuran-3-carboxylate is CCOC(=O)C1=C(Nc2ccc(C)cc2OCCN(C)C)OCC1=O.
What is the InChIKey of ethyl 2-[2-[2-(dimethylamino)ethoxy]-4-methylanilino]-4-oxofuran-3-carboxylate?
The InChIKey is UAANZDIUJMINPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O5/c1-5-23-18(22)16-14(21)11-25-17(16)19-13-7-6-12(2)10-15(13)24-9-8-20(3)4/h6-7,10,19H,5,8-9,11H2,1-4H3.
What are the key properties of ethyl 2-[2-[2-(dimethylamino)ethoxy]-4-methylanilino]-4-oxofuran-3-carboxylate?
ethyl 2-[2-[2-(dimethylamino)ethoxy]-4-methylanilino]-4-oxofuran-3-carboxylate has a molecular weight of 348.40 g/mol, XLogP of 1.72, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-[2-(dimethylamino)ethoxy]-4-methylanilino]-4-oxofuran-3-carboxylate is sourced from PubChem (CID 86708339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).