methyl 3-[(2-ethyl-6-methylanilino)methyl]furan-2-carboxylate

C16H19NO3 — CID 60924016

IUPACmethyl 3-[(2-ethyl-6-methylanilino)methyl]furan-2-carboxylate
SMILESCCc1cccc(C)c1NCc1ccoc1C(=O)OC
InChIInChI=1S/C16H19NO3/c1-4-12-7-5-6-11(2)14(12)17-10-13-8-9-20-15(13)16(18)19-3/h5-9,17H,4,10H2,1-3H3
InChIKeyPLTHOFLTVWWBJR-UHFFFAOYSA-N
MW273.33 g/mol
LogP3.55
Rot. Bonds5

About methyl 3-[(2-ethyl-6-methylanilino)methyl]furan-2-carboxylate

methyl 3-[(2-ethyl-6-methylanilino)methyl]furan-2-carboxylate (PubChem CID 60924016) has the molecular formula C16H19NO3 and a molecular weight of 273.33 g/mol. Its IUPAC name is methyl 3-[(2-ethyl-6-methylanilino)methyl]furan-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[(2-ethyl-6-methylanilino)methyl]furan-2-carboxylate
PubChem CID60924016
Molecular FormulaC16H19NO3
Molecular Weight273.33 g/mol
Exact Mass273.14
IUPAC Namemethyl 3-[(2-ethyl-6-methylanilino)methyl]furan-2-carboxylate
SMILESCCc1cccc(C)c1NCc1ccoc1C(=O)OC
InChIInChI=1S/C16H19NO3/c1-4-12-7-5-6-11(2)14(12)17-10-13-8-9-20-15(13)16(18)19-3/h5-9,17H,4,10H2,1-3H3
InChIKeyPLTHOFLTVWWBJR-UHFFFAOYSA-N
XLogP3.55
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2,6-diethylanilino)methyl]furan-2-carboxylic acid
CID 103248262
methyl 3-[[2-(ethoxymethyl)anilino]methyl]furan-2-carboxylate
CID 43792103
methyl 3-[(4-hydroxy-2,5-dimethylanilino)methyl]furan-2-carboxylate
CID 106954118
methyl 3-[(4-chloro-2-methylanilino)methyl]furan-2-carboxylate
CID 43766587
methyl 3-[(2-ethylsulfanylanilino)methyl]furan-2-carboxylate
CID 60935939
methyl 3-[[(3-ethyl-2-pyridinyl)methylamino]methyl]furan-2-carboxylate
CID 82732224
methyl 3-[(3-propoxyanilino)methyl]furan-2-carboxylate
CID 43435817
methyl 3-[[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]methyl]furan-2-carboxylate
CID 113350256
N-[2-[(2-ethyl-6-methylanilino)methyl]phenyl]acetamide
CID 66417086
2-[(2-ethyl-6-methylanilino)methyl]-4-methoxyphenol
CID 60925001
2-ethyl-N-[(5-methoxy-1,3,4-oxadiazol-2-yl)methyl]-6-methylaniline
CID 23462284
N,N'-bis(2-ethyl-6-methylphenyl)oxamide
CID 3725747

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(2-ethyl-6-methylanilino)methyl]furan-2-carboxylate?
The IUPAC name of methyl 3-[(2-ethyl-6-methylanilino)methyl]furan-2-carboxylate (CID 60924016) is methyl 3-[(2-ethyl-6-methylanilino)methyl]furan-2-carboxylate.
What is the SMILES notation for methyl 3-[(2-ethyl-6-methylanilino)methyl]furan-2-carboxylate?
The canonical SMILES for methyl 3-[(2-ethyl-6-methylanilino)methyl]furan-2-carboxylate is CCc1cccc(C)c1NCc1ccoc1C(=O)OC.
What is the InChIKey of methyl 3-[(2-ethyl-6-methylanilino)methyl]furan-2-carboxylate?
The InChIKey is PLTHOFLTVWWBJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3/c1-4-12-7-5-6-11(2)14(12)17-10-13-8-9-20-15(13)16(18)19-3/h5-9,17H,4,10H2,1-3H3.
What are the key properties of methyl 3-[(2-ethyl-6-methylanilino)methyl]furan-2-carboxylate?
methyl 3-[(2-ethyl-6-methylanilino)methyl]furan-2-carboxylate has a molecular weight of 273.33 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(2-ethyl-6-methylanilino)methyl]furan-2-carboxylate is sourced from PubChem (CID 60924016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).