methyl 3-[[2-(ethoxymethyl)anilino]methyl]furan-2-carboxylate

C16H19NO4 — CID 43792103

IUPACmethyl 3-[[2-(ethoxymethyl)anilino]methyl]furan-2-carboxylate
SMILESCCOCc1ccccc1NCc1ccoc1C(=O)OC
InChIInChI=1S/C16H19NO4/c1-3-20-11-13-6-4-5-7-14(13)17-10-12-8-9-21-15(12)16(18)19-2/h4-9,17H,3,10-11H2,1-2H3
InChIKeyKBUKFWUSQMNXEO-UHFFFAOYSA-N
MW289.33 g/mol
LogP3.21
Rot. Bonds7

About methyl 3-[[2-(ethoxymethyl)anilino]methyl]furan-2-carboxylate

methyl 3-[[2-(ethoxymethyl)anilino]methyl]furan-2-carboxylate (PubChem CID 43792103) has the molecular formula C16H19NO4 and a molecular weight of 289.33 g/mol. Its IUPAC name is methyl 3-[[2-(ethoxymethyl)anilino]methyl]furan-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[[2-(ethoxymethyl)anilino]methyl]furan-2-carboxylate
PubChem CID43792103
Molecular FormulaC16H19NO4
Molecular Weight289.33 g/mol
Exact Mass289.13
IUPAC Namemethyl 3-[[2-(ethoxymethyl)anilino]methyl]furan-2-carboxylate
SMILESCCOCc1ccccc1NCc1ccoc1C(=O)OC
InChIInChI=1S/C16H19NO4/c1-3-20-11-13-6-4-5-7-14(13)17-10-12-8-9-21-15(12)16(18)19-2/h4-9,17H,3,10-11H2,1-2H3
InChIKeyKBUKFWUSQMNXEO-UHFFFAOYSA-N
XLogP3.21
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 ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-[(2-ethylanilino)methyl]furan-2-carboxylate
CID 43425518
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
3-[[[2-(ethoxymethyl)phenyl]methylamino]methyl]furan-2-carboxylic acid
CID 103240283
methyl 3-[(2-ethyl-6-methylanilino)methyl]furan-2-carboxylate
CID 60924016
methyl 3-[(phenylmethoxyamino)methyl]furan-2-carboxylate
CID 82709261
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-chloro-2-methylanilino)methyl]furan-2-carboxylate
CID 43766587
2-(ethoxymethyl)-N-ethylaniline
CID 43750443
methyl 3-[(4-propylanilino)methyl]furan-2-carboxylate
CID 43425046

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[2-(ethoxymethyl)anilino]methyl]furan-2-carboxylate?
The IUPAC name of methyl 3-[[2-(ethoxymethyl)anilino]methyl]furan-2-carboxylate (CID 43792103) is methyl 3-[[2-(ethoxymethyl)anilino]methyl]furan-2-carboxylate.
What is the SMILES notation for methyl 3-[[2-(ethoxymethyl)anilino]methyl]furan-2-carboxylate?
The canonical SMILES for methyl 3-[[2-(ethoxymethyl)anilino]methyl]furan-2-carboxylate is CCOCc1ccccc1NCc1ccoc1C(=O)OC.
What is the InChIKey of methyl 3-[[2-(ethoxymethyl)anilino]methyl]furan-2-carboxylate?
The InChIKey is KBUKFWUSQMNXEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO4/c1-3-20-11-13-6-4-5-7-14(13)17-10-12-8-9-21-15(12)16(18)19-2/h4-9,17H,3,10-11H2,1-2H3.
What are the key properties of methyl 3-[[2-(ethoxymethyl)anilino]methyl]furan-2-carboxylate?
methyl 3-[[2-(ethoxymethyl)anilino]methyl]furan-2-carboxylate has a molecular weight of 289.33 g/mol, XLogP of 3.21, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[2-(ethoxymethyl)anilino]methyl]furan-2-carboxylate is sourced from PubChem (CID 43792103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).