methyl 5-[(2-ethylanilino)methyl]furan-3-carboxylate

C15H17NO3 — CID 104585593

IUPACmethyl 5-[(2-ethylanilino)methyl]furan-3-carboxylate
SMILESCCc1ccccc1NCc1cc(C(=O)OC)co1
InChIInChI=1S/C15H17NO3/c1-3-11-6-4-5-7-14(11)16-9-13-8-12(10-19-13)15(17)18-2/h4-8,10,16H,3,9H2,1-2H3
InChIKeyPLUNNDZTMQULDV-UHFFFAOYSA-N
MW259.31 g/mol
LogP3.24
Rot. Bonds5

About methyl 5-[(2-ethylanilino)methyl]furan-3-carboxylate

methyl 5-[(2-ethylanilino)methyl]furan-3-carboxylate (PubChem CID 104585593) has the molecular formula C15H17NO3 and a molecular weight of 259.31 g/mol. Its IUPAC name is methyl 5-[(2-ethylanilino)methyl]furan-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-[(2-ethylanilino)methyl]furan-3-carboxylate
PubChem CID104585593
Molecular FormulaC15H17NO3
Molecular Weight259.31 g/mol
Exact Mass259.12
IUPAC Namemethyl 5-[(2-ethylanilino)methyl]furan-3-carboxylate
SMILESCCc1ccccc1NCc1cc(C(=O)OC)co1
InChIInChI=1S/C15H17NO3/c1-3-11-6-4-5-7-14(11)16-9-13-8-12(10-19-13)15(17)18-2/h4-8,10,16H,3,9H2,1-2H3
InChIKeyPLUNNDZTMQULDV-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 5-[(2-fluoroanilino)methyl]furan-3-carboxylate
CID 104585655
methyl 5-[(3-fluoro-2-methylanilino)methyl]furan-3-carboxylate
CID 104585702
5-[(2-methoxycarbonylanilino)methyl]furan-3-carboxylic acid
CID 104608185
methyl 5-ethylfuran-3-carboxylate
CID 23661323
methyl 5-[(4-hydroxy-2-methylanilino)methyl]furan-3-carboxylate
CID 104608982
5-[[2-[(dimethylamino)methyl]anilino]methyl]furan-3-carboxylic acid
CID 104608604
5-[[2-(2-amino-2-oxoethyl)anilino]methyl]furan-3-carboxylic acid
CID 104608536
methyl 5-[(2-fluoro-5-methoxyanilino)methyl]furan-3-carboxylate
CID 104585663
methyl 5-[(2-bromo-4-chloroanilino)methyl]furan-3-carboxylate
CID 104609130
methyl 5-[[2-(2-methoxyphenyl)ethylamino]methyl]furan-3-carboxylate
CID 104585813
methyl 5-[(2-chloro-4-fluoroanilino)methyl]furan-3-carboxylate
CID 104608171
4-[(4-methoxycarbonylfuran-2-yl)methylamino]benzoic acid
CID 104608179

Frequently Asked Questions

What is the IUPAC name of methyl 5-[(2-ethylanilino)methyl]furan-3-carboxylate?
The IUPAC name of methyl 5-[(2-ethylanilino)methyl]furan-3-carboxylate (CID 104585593) is methyl 5-[(2-ethylanilino)methyl]furan-3-carboxylate.
What is the SMILES notation for methyl 5-[(2-ethylanilino)methyl]furan-3-carboxylate?
The canonical SMILES for methyl 5-[(2-ethylanilino)methyl]furan-3-carboxylate is CCc1ccccc1NCc1cc(C(=O)OC)co1.
What is the InChIKey of methyl 5-[(2-ethylanilino)methyl]furan-3-carboxylate?
The InChIKey is PLUNNDZTMQULDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3/c1-3-11-6-4-5-7-14(11)16-9-13-8-12(10-19-13)15(17)18-2/h4-8,10,16H,3,9H2,1-2H3.
What are the key properties of methyl 5-[(2-ethylanilino)methyl]furan-3-carboxylate?
methyl 5-[(2-ethylanilino)methyl]furan-3-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 5-[(2-ethylanilino)methyl]furan-3-carboxylate is sourced from PubChem (CID 104585593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).