methyl 5-[1-(4-methoxy-2-methylanilino)ethyl]furan-2-carboxylate

C16H19NO4 — CID 103249389

IUPACmethyl 5-[1-(4-methoxy-2-methylanilino)ethyl]furan-2-carboxylate
SMILESCOC(=O)c1ccc(C(C)Nc2ccc(OC)cc2C)o1
InChIInChI=1S/C16H19NO4/c1-10-9-12(19-3)5-6-13(10)17-11(2)14-7-8-15(21-14)16(18)20-4/h5-9,11,17H,1-4H3
InChIKeyZSMKMSFVTQUOKO-UHFFFAOYSA-N
MW289.33 g/mol
LogP3.56
Rot. Bonds5

About methyl 5-[1-(4-methoxy-2-methylanilino)ethyl]furan-2-carboxylate

methyl 5-[1-(4-methoxy-2-methylanilino)ethyl]furan-2-carboxylate (PubChem CID 103249389) has the molecular formula C16H19NO4 and a molecular weight of 289.33 g/mol. Its IUPAC name is methyl 5-[1-(4-methoxy-2-methylanilino)ethyl]furan-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[1-(4-methoxy-2-methylanilino)ethyl]furan-2-carboxylate
PubChem CID103249389
Molecular FormulaC16H19NO4
Molecular Weight289.33 g/mol
Exact Mass289.13
IUPAC Namemethyl 5-[1-(4-methoxy-2-methylanilino)ethyl]furan-2-carboxylate
SMILESCOC(=O)c1ccc(C(C)Nc2ccc(OC)cc2C)o1
InChIInChI=1S/C16H19NO4/c1-10-9-12(19-3)5-6-13(10)17-11(2)14-7-8-15(21-14)16(18)20-4/h5-9,11,17H,1-4H3
InChIKeyZSMKMSFVTQUOKO-UHFFFAOYSA-N
XLogP3.56
TPSA60.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

Analyze methyl 5-[1-(4-methoxy-2-methylanilino)ethyl]furan-2-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

methyl 5-[1-(2-chloro-5-methoxyanilino)ethyl]furan-2-carboxylate
CID 103243613
methyl 5-[1-(5-bromo-4-fluoro-2-methylanilino)ethyl]furan-2-carboxylate
CID 107592927
methyl 5-[1-(2,5-difluoro-4-methylanilino)ethyl]furan-2-carboxylate
CID 103586415
methyl 5-[1-(2-bromo-4-fluoroanilino)ethyl]furan-2-carboxylate
CID 103236382
methyl 5-[1-(2,4-dichloroanilino)ethyl]furan-2-carboxylate
CID 103232280
methyl 5-[1-(3-bromo-2-methylanilino)ethyl]furan-2-carboxylate
CID 107636489
methyl 5-[1-(2,6-dibromo-4-methylanilino)ethyl]furan-2-carboxylate
CID 103236832
methyl 5-[1-(2-bromo-5-fluoroanilino)ethyl]furan-2-carboxylate
CID 107636665
methyl 5-[1-(4-bromo-2-cyanoanilino)ethyl]furan-2-carboxylate
CID 103261890
methyl 3-(4-methoxy-2-methylanilino)butanoate
CID 62873162
1-(4-methoxy-2-methylphenyl)-3-propan-2-ylurea
CID 115606016
4-methoxy-2-methyl-N-[(2S)-3-methylbutan-2-yl]aniline
CID 94885289

Frequently Asked Questions

What is the IUPAC name of methyl 5-[1-(4-methoxy-2-methylanilino)ethyl]furan-2-carboxylate?
The IUPAC name of methyl 5-[1-(4-methoxy-2-methylanilino)ethyl]furan-2-carboxylate (CID 103249389) is methyl 5-[1-(4-methoxy-2-methylanilino)ethyl]furan-2-carboxylate.
What is the SMILES notation for methyl 5-[1-(4-methoxy-2-methylanilino)ethyl]furan-2-carboxylate?
The canonical SMILES for methyl 5-[1-(4-methoxy-2-methylanilino)ethyl]furan-2-carboxylate is COC(=O)c1ccc(C(C)Nc2ccc(OC)cc2C)o1.
What is the InChIKey of methyl 5-[1-(4-methoxy-2-methylanilino)ethyl]furan-2-carboxylate?
The InChIKey is ZSMKMSFVTQUOKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO4/c1-10-9-12(19-3)5-6-13(10)17-11(2)14-7-8-15(21-14)16(18)20-4/h5-9,11,17H,1-4H3.
What are the key properties of methyl 5-[1-(4-methoxy-2-methylanilino)ethyl]furan-2-carboxylate?
methyl 5-[1-(4-methoxy-2-methylanilino)ethyl]furan-2-carboxylate has a molecular weight of 289.33 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[1-(4-methoxy-2-methylanilino)ethyl]furan-2-carboxylate is sourced from PubChem (CID 103249389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).