ethyl 5-[(2-methoxyethylamino)methyl]furan-2-carboxylate

C11H17NO4 — CID 115904417

IUPACethyl 5-[(2-methoxyethylamino)methyl]furan-2-carboxylate
SMILESCCOC(=O)c1ccc(CNCCOC)o1
InChIInChI=1S/C11H17NO4/c1-3-15-11(13)10-5-4-9(16-10)8-12-6-7-14-2/h4-5,12H,3,6-8H2,1-2H3
InChIKeyNCMWEQORBHFTAS-UHFFFAOYSA-N
MW227.26 g/mol
LogP1.19
Rot. Bonds7

About ethyl 5-[(2-methoxyethylamino)methyl]furan-2-carboxylate

ethyl 5-[(2-methoxyethylamino)methyl]furan-2-carboxylate (PubChem CID 115904417) has the molecular formula C11H17NO4 and a molecular weight of 227.26 g/mol. Its IUPAC name is ethyl 5-[(2-methoxyethylamino)methyl]furan-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-[(2-methoxyethylamino)methyl]furan-2-carboxylate
PubChem CID115904417
Molecular FormulaC11H17NO4
Molecular Weight227.26 g/mol
Exact Mass227.12
IUPAC Nameethyl 5-[(2-methoxyethylamino)methyl]furan-2-carboxylate
SMILESCCOC(=O)c1ccc(CNCCOC)o1
InChIInChI=1S/C11H17NO4/c1-3-15-11(13)10-5-4-9(16-10)8-12-6-7-14-2/h4-5,12H,3,6-8H2,1-2H3
InChIKeyNCMWEQORBHFTAS-UHFFFAOYSA-N
XLogP1.19
TPSA60.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

methyl 5-[[(2-ethoxy-2-oxoethyl)amino]methyl]furan-2-carboxylate
CID 60810799
methyl 5-[[4-(2-methoxyethoxy)butylamino]methyl]furan-2-carboxylate
CID 115905245
ethyl 5-[2-(2-methoxyethylamino)ethylsulfamoyl]furan-2-carboxylate;hydrochloride
CID 120717695
ethyl 5-[(2-methylpropanoylamino)methyl]furan-2-carboxylate
CID 71976282
ethyl 5-[[(5-bromofuran-2-carbonyl)amino]methyl]furan-2-carboxylate
CID 71976281
ethyl 5-[[(4-hydroxypyrrolidin-3-yl)methylamino]methyl]furan-2-carboxylate
CID 120962633
methyl 5-[(2-phenylethylamino)methyl]furan-2-carboxylate
CID 43219084
ethyl 5-[[(2-methylfuran-3-carbonyl)amino]methyl]furan-2-carboxylate
CID 71923929
ethyl 5-[[(5-methyl-1,2-oxazole-3-carbonyl)amino]methyl]furan-2-carboxylate
CID 71860945
ethyl 5-(2,2-dimethylpropyl)furan-2-carboxylate
CID 59637083
ethyl 5-[[4-(methoxymethyl)phenoxy]methyl]furan-2-carboxylate
CID 10017085
ethyl 5-[[(6-chloropyrazin-2-yl)amino]methyl]furan-2-carboxylate
CID 10379013

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[(2-methoxyethylamino)methyl]furan-2-carboxylate?
The IUPAC name of ethyl 5-[(2-methoxyethylamino)methyl]furan-2-carboxylate (CID 115904417) is ethyl 5-[(2-methoxyethylamino)methyl]furan-2-carboxylate.
What is the SMILES notation for ethyl 5-[(2-methoxyethylamino)methyl]furan-2-carboxylate?
The canonical SMILES for ethyl 5-[(2-methoxyethylamino)methyl]furan-2-carboxylate is CCOC(=O)c1ccc(CNCCOC)o1.
What is the InChIKey of ethyl 5-[(2-methoxyethylamino)methyl]furan-2-carboxylate?
The InChIKey is NCMWEQORBHFTAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO4/c1-3-15-11(13)10-5-4-9(16-10)8-12-6-7-14-2/h4-5,12H,3,6-8H2,1-2H3.
What are the key properties of ethyl 5-[(2-methoxyethylamino)methyl]furan-2-carboxylate?
ethyl 5-[(2-methoxyethylamino)methyl]furan-2-carboxylate has a molecular weight of 227.26 g/mol, XLogP of 1.19, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[(2-methoxyethylamino)methyl]furan-2-carboxylate is sourced from PubChem (CID 115904417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).