methyl 3-[(2-ethylanilino)methyl]furan-2-carboxylate

C15H17NO3 — CID 43425518

IUPACmethyl 3-[(2-ethylanilino)methyl]furan-2-carboxylate
SMILESCCc1ccccc1NCc1ccoc1C(=O)OC
InChIInChI=1S/C15H17NO3/c1-3-11-6-4-5-7-13(11)16-10-12-8-9-19-14(12)15(17)18-2/h4-9,16H,3,10H2,1-2H3
InChIKeyDNTKFIMBUXBAPT-UHFFFAOYSA-N
MW259.31 g/mol
LogP3.24
Rot. Bonds5

About methyl 3-[(2-ethylanilino)methyl]furan-2-carboxylate

methyl 3-[(2-ethylanilino)methyl]furan-2-carboxylate (PubChem CID 43425518) has the molecular formula C15H17NO3 and a molecular weight of 259.31 g/mol. Its IUPAC name is methyl 3-[(2-ethylanilino)methyl]furan-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[(2-ethylanilino)methyl]furan-2-carboxylate
PubChem CID43425518
Molecular FormulaC15H17NO3
Molecular Weight259.31 g/mol
Exact Mass259.12
IUPAC Namemethyl 3-[(2-ethylanilino)methyl]furan-2-carboxylate
SMILESCCc1ccccc1NCc1ccoc1C(=O)OC
InChIInChI=1S/C15H17NO3/c1-3-11-6-4-5-7-13(11)16-10-12-8-9-19-14(12)15(17)18-2/h4-9,16H,3,10H2,1-2H3
InChIKeyDNTKFIMBUXBAPT-UHFFFAOYSA-N
XLogP3.24
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-[[2-(ethoxymethyl)anilino]methyl]furan-2-carboxylate
CID 43792103
methyl 3-[(2-methoxycarbonylanilino)methyl]furan-2-carboxylate
CID 43774551
methyl 3-[(2-ethylsulfanylanilino)methyl]furan-2-carboxylate
CID 60935939
methyl 3-[(2-cyanoanilino)methyl]furan-2-carboxylate
CID 43425461
methyl 3-[(2-ethyl-6-methylanilino)methyl]furan-2-carboxylate
CID 60924016
methyl 3-[(2,5-difluoroanilino)methyl]furan-2-carboxylate
CID 43759661
methyl 3-[(4-hydroxy-2,5-dimethylanilino)methyl]furan-2-carboxylate
CID 106954118
methyl 3-[[(4-ethylphenyl)methylamino]methyl]furan-2-carboxylate
CID 103827308
methyl 3-[(4-chloro-2-methylanilino)methyl]furan-2-carboxylate
CID 43766587
methyl 3-[(4-propylanilino)methyl]furan-2-carboxylate
CID 43425046
methyl 5-[(2-ethylanilino)methyl]furan-3-carboxylate
CID 104585593
methyl 3-[(5-bromo-2,4-difluoroanilino)methyl]furan-2-carboxylate
CID 102853126

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(2-ethylanilino)methyl]furan-2-carboxylate?
The IUPAC name of methyl 3-[(2-ethylanilino)methyl]furan-2-carboxylate (CID 43425518) is methyl 3-[(2-ethylanilino)methyl]furan-2-carboxylate.
What is the SMILES notation for methyl 3-[(2-ethylanilino)methyl]furan-2-carboxylate?
The canonical SMILES for methyl 3-[(2-ethylanilino)methyl]furan-2-carboxylate is CCc1ccccc1NCc1ccoc1C(=O)OC.
What is the InChIKey of methyl 3-[(2-ethylanilino)methyl]furan-2-carboxylate?
The InChIKey is DNTKFIMBUXBAPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3/c1-3-11-6-4-5-7-13(11)16-10-12-8-9-19-14(12)15(17)18-2/h4-9,16H,3,10H2,1-2H3.
What are the key properties of methyl 3-[(2-ethylanilino)methyl]furan-2-carboxylate?
methyl 3-[(2-ethylanilino)methyl]furan-2-carboxylate has a molecular weight of 259.31 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(2-ethylanilino)methyl]furan-2-carboxylate is sourced from PubChem (CID 43425518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).