methyl 5-[(2-ethoxyanilino)methyl]-2-methylfuran-3-carboxylate

C16H19NO4 — CID 43222413

IUPACmethyl 5-[(2-ethoxyanilino)methyl]-2-methylfuran-3-carboxylate
SMILESCCOc1ccccc1NCc1cc(C(=O)OC)c(C)o1
InChIInChI=1S/C16H19NO4/c1-4-20-15-8-6-5-7-14(15)17-10-12-9-13(11(2)21-12)16(18)19-3/h5-9,17H,4,10H2,1-3H3
InChIKeyKJLPAEFSXFGVSV-UHFFFAOYSA-N
MW289.33 g/mol
LogP3.39
Rot. Bonds6

About methyl 5-[(2-ethoxyanilino)methyl]-2-methylfuran-3-carboxylate

methyl 5-[(2-ethoxyanilino)methyl]-2-methylfuran-3-carboxylate (PubChem CID 43222413) has the molecular formula C16H19NO4 and a molecular weight of 289.33 g/mol. Its IUPAC name is methyl 5-[(2-ethoxyanilino)methyl]-2-methylfuran-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-[(2-ethoxyanilino)methyl]-2-methylfuran-3-carboxylate
PubChem CID43222413
Molecular FormulaC16H19NO4
Molecular Weight289.33 g/mol
Exact Mass289.13
IUPAC Namemethyl 5-[(2-ethoxyanilino)methyl]-2-methylfuran-3-carboxylate
SMILESCCOc1ccccc1NCc1cc(C(=O)OC)c(C)o1
InChIInChI=1S/C16H19NO4/c1-4-20-15-8-6-5-7-14(15)17-10-12-9-13(11(2)21-12)16(18)19-3/h5-9,17H,4,10H2,1-3H3
InChIKeyKJLPAEFSXFGVSV-UHFFFAOYSA-N
XLogP3.39
TPSA60.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-methyl-5-[(2-methylanilino)methyl]furan-3-carboxylate
CID 43222319
methyl 5-[(2-chloro-4-methylanilino)methyl]-2-methylfuran-3-carboxylate
CID 37477190
methyl 5-[(4-chloro-2-iodoanilino)methyl]-2-methylfuran-3-carboxylate
CID 107631953
methyl 2-methyl-5-[(3-methylpentan-3-ylamino)methyl]furan-3-carboxylate
CID 113253716
methyl 5-[(3,5-dimethylanilino)methyl]-2-methylfuran-3-carboxylate
CID 43222394
methyl 5-[(3-iodoanilino)methyl]-2-methylfuran-3-carboxylate
CID 43222423
methyl 5-[[(3-fluoro-2-pyridinyl)amino]methyl]-2-methylfuran-3-carboxylate
CID 75483063
methyl 5-[[(4-methoxycarbonyl-5-methylfuran-2-yl)methylcarbamoylamino]methyl]-2-methylfuran-3-carboxylate
CID 51116970
methyl 5-[(2-chloro-6-methylanilino)methyl]-2-methylfuran-3-carboxylate
CID 66252438
methyl 5-[[3-(dimethylamino)anilino]methyl]-2-methylfuran-3-carboxylate
CID 78914081
methyl 5-[[[(1R)-1-(2-chlorophenyl)ethyl]amino]methyl]-2-methylfuran-3-carboxylate
CID 81375393
methyl 5-[(5-bromo-2-cyanoanilino)methyl]-2-methylfuran-3-carboxylate
CID 107797435

Frequently Asked Questions

What is the IUPAC name of methyl 5-[(2-ethoxyanilino)methyl]-2-methylfuran-3-carboxylate?
The IUPAC name of methyl 5-[(2-ethoxyanilino)methyl]-2-methylfuran-3-carboxylate (CID 43222413) is methyl 5-[(2-ethoxyanilino)methyl]-2-methylfuran-3-carboxylate.
What is the SMILES notation for methyl 5-[(2-ethoxyanilino)methyl]-2-methylfuran-3-carboxylate?
The canonical SMILES for methyl 5-[(2-ethoxyanilino)methyl]-2-methylfuran-3-carboxylate is CCOc1ccccc1NCc1cc(C(=O)OC)c(C)o1.
What is the InChIKey of methyl 5-[(2-ethoxyanilino)methyl]-2-methylfuran-3-carboxylate?
The InChIKey is KJLPAEFSXFGVSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO4/c1-4-20-15-8-6-5-7-14(15)17-10-12-9-13(11(2)21-12)16(18)19-3/h5-9,17H,4,10H2,1-3H3.
What are the key properties of methyl 5-[(2-ethoxyanilino)methyl]-2-methylfuran-3-carboxylate?
methyl 5-[(2-ethoxyanilino)methyl]-2-methylfuran-3-carboxylate has a molecular weight of 289.33 g/mol, XLogP of 3.39, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[(2-ethoxyanilino)methyl]-2-methylfuran-3-carboxylate is sourced from PubChem (CID 43222413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).