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

C16H19NO4 — CID 43435817

IUPACmethyl 3-[(3-propoxyanilino)methyl]furan-2-carboxylate
SMILESCCCOc1cccc(NCc2ccoc2C(=O)OC)c1
InChIInChI=1S/C16H19NO4/c1-3-8-20-14-6-4-5-13(10-14)17-11-12-7-9-21-15(12)16(18)19-2/h4-7,9-10,17H,3,8,11H2,1-2H3
InChIKeyMYAIXVNIPYSHFR-UHFFFAOYSA-N
MW289.33 g/mol
LogP3.47
Rot. Bonds7

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

methyl 3-[(3-propoxyanilino)methyl]furan-2-carboxylate (PubChem CID 43435817) has the molecular formula C16H19NO4 and a molecular weight of 289.33 g/mol. Its IUPAC name is methyl 3-[(3-propoxyanilino)methyl]furan-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[(3-propoxyanilino)methyl]furan-2-carboxylate
PubChem CID43435817
Molecular FormulaC16H19NO4
Molecular Weight289.33 g/mol
Exact Mass289.13
IUPAC Namemethyl 3-[(3-propoxyanilino)methyl]furan-2-carboxylate
SMILESCCCOc1cccc(NCc2ccoc2C(=O)OC)c1
InChIInChI=1S/C16H19NO4/c1-3-8-20-14-6-4-5-13(10-14)17-11-12-7-9-21-15(12)16(18)19-2/h4-7,9-10,17H,3,8,11H2,1-2H3
InChIKeyMYAIXVNIPYSHFR-UHFFFAOYSA-N
XLogP3.47
TPSA60.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-[(4-propylanilino)methyl]furan-2-carboxylate
CID 43425046
N-[(2-ethoxyphenyl)methyl]-3-propoxyaniline
CID 43693650
methyl 3-[(3-bromo-4-methylanilino)methyl]furan-2-carboxylate
CID 63332980
N-(furan-3-ylmethyl)-3-propoxyaniline
CID 63204676
3-propoxy-N-[(4-propoxyphenyl)methyl]aniline
CID 54800585
5-[(3-propoxyanilino)methyl]thiophene-3-carboxamide
CID 79614000
methyl 3-[(3-chloro-4-cyanoanilino)methyl]furan-2-carboxylate
CID 43775127
N-[(5-ethylthiophen-2-yl)methyl]-3-propoxyaniline
CID 62345185
N-[(2-methylpyrazol-3-yl)methyl]-3-propoxyaniline
CID 43693776
methyl 3-[[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]methyl]furan-2-carboxylate
CID 43790129
3-butoxy-N-[(3-propoxyphenyl)methyl]aniline
CID 54800692
N-[(3-ethoxyphenyl)methyl]-3-propoxyaniline
CID 54800526

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(3-propoxyanilino)methyl]furan-2-carboxylate?
The IUPAC name of methyl 3-[(3-propoxyanilino)methyl]furan-2-carboxylate (CID 43435817) is methyl 3-[(3-propoxyanilino)methyl]furan-2-carboxylate.
What is the SMILES notation for methyl 3-[(3-propoxyanilino)methyl]furan-2-carboxylate?
The canonical SMILES for methyl 3-[(3-propoxyanilino)methyl]furan-2-carboxylate is CCCOc1cccc(NCc2ccoc2C(=O)OC)c1.
What is the InChIKey of methyl 3-[(3-propoxyanilino)methyl]furan-2-carboxylate?
The InChIKey is MYAIXVNIPYSHFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO4/c1-3-8-20-14-6-4-5-13(10-14)17-11-12-7-9-21-15(12)16(18)19-2/h4-7,9-10,17H,3,8,11H2,1-2H3.
What are the key properties of methyl 3-[(3-propoxyanilino)methyl]furan-2-carboxylate?
methyl 3-[(3-propoxyanilino)methyl]furan-2-carboxylate has a molecular weight of 289.33 g/mol, XLogP of 3.47, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(3-propoxyanilino)methyl]furan-2-carboxylate is sourced from PubChem (CID 43435817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).