methyl 3-[(4-propylanilino)methyl]furan-2-carboxylate

C16H19NO3 — CID 43425046

IUPACmethyl 3-[(4-propylanilino)methyl]furan-2-carboxylate
SMILESCCCc1ccc(NCc2ccoc2C(=O)OC)cc1
InChIInChI=1S/C16H19NO3/c1-3-4-12-5-7-14(8-6-12)17-11-13-9-10-20-15(13)16(18)19-2/h5-10,17H,3-4,11H2,1-2H3
InChIKeyPMERQQWJPKHOEH-UHFFFAOYSA-N
MW273.33 g/mol
LogP3.63
Rot. Bonds6

About methyl 3-[(4-propylanilino)methyl]furan-2-carboxylate

methyl 3-[(4-propylanilino)methyl]furan-2-carboxylate (PubChem CID 43425046) has the molecular formula C16H19NO3 and a molecular weight of 273.33 g/mol. Its IUPAC name is methyl 3-[(4-propylanilino)methyl]furan-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[(4-propylanilino)methyl]furan-2-carboxylate
PubChem CID43425046
Molecular FormulaC16H19NO3
Molecular Weight273.33 g/mol
Exact Mass273.14
IUPAC Namemethyl 3-[(4-propylanilino)methyl]furan-2-carboxylate
SMILESCCCc1ccc(NCc2ccoc2C(=O)OC)cc1
InChIInChI=1S/C16H19NO3/c1-3-4-12-5-7-14(8-6-12)17-11-13-9-10-20-15(13)16(18)19-2/h5-10,17H,3-4,11H2,1-2H3
InChIKeyPMERQQWJPKHOEH-UHFFFAOYSA-N
XLogP3.63
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-[[(4-ethylphenyl)methylamino]methyl]furan-2-carboxylate
CID 103827308
methyl 3-[(3-bromo-4-methylanilino)methyl]furan-2-carboxylate
CID 63332980
methyl 3-[(3-propoxyanilino)methyl]furan-2-carboxylate
CID 43435817
methyl 3-[(2-ethylanilino)methyl]furan-2-carboxylate
CID 43425518
methyl 3-[(3-chloro-4-cyanoanilino)methyl]furan-2-carboxylate
CID 43775127
methyl 3-[(2-methoxycarbonylanilino)methyl]furan-2-carboxylate
CID 43774551
methyl 3-[(2-ethyl-6-methylanilino)methyl]furan-2-carboxylate
CID 60924016
methyl 3-[[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]methyl]furan-2-carboxylate
CID 43790129
methyl 3-[(2-ethylsulfanylanilino)methyl]furan-2-carboxylate
CID 60935939
methyl 3-[[2-(ethoxymethyl)anilino]methyl]furan-2-carboxylate
CID 43792103
methyl 3-[[(3-hydroxy-2-methylbutan-2-yl)amino]methyl]furan-2-carboxylate
CID 113352553
methyl 3-[(4-hydroxy-2,5-dimethylanilino)methyl]furan-2-carboxylate
CID 106954118

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(4-propylanilino)methyl]furan-2-carboxylate?
The IUPAC name of methyl 3-[(4-propylanilino)methyl]furan-2-carboxylate (CID 43425046) is methyl 3-[(4-propylanilino)methyl]furan-2-carboxylate.
What is the SMILES notation for methyl 3-[(4-propylanilino)methyl]furan-2-carboxylate?
The canonical SMILES for methyl 3-[(4-propylanilino)methyl]furan-2-carboxylate is CCCc1ccc(NCc2ccoc2C(=O)OC)cc1.
What is the InChIKey of methyl 3-[(4-propylanilino)methyl]furan-2-carboxylate?
The InChIKey is PMERQQWJPKHOEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3/c1-3-4-12-5-7-14(8-6-12)17-11-13-9-10-20-15(13)16(18)19-2/h5-10,17H,3-4,11H2,1-2H3.
What are the key properties of methyl 3-[(4-propylanilino)methyl]furan-2-carboxylate?
methyl 3-[(4-propylanilino)methyl]furan-2-carboxylate has a molecular weight of 273.33 g/mol, XLogP of 3.63, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(4-propylanilino)methyl]furan-2-carboxylate is sourced from PubChem (CID 43425046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).