methyl 5-[1-(2-ethoxyethylamino)ethyl]furan-2-carboxylate

C12H19NO4 — CID 103230134

IUPACmethyl 5-[1-(2-ethoxyethylamino)ethyl]furan-2-carboxylate
SMILESCCOCCNC(C)c1ccc(C(=O)OC)o1
InChIInChI=1S/C12H19NO4/c1-4-16-8-7-13-9(2)10-5-6-11(17-10)12(14)15-3/h5-6,9,13H,4,7-8H2,1-3H3
InChIKeyNBRVZPXYKGEVDD-UHFFFAOYSA-N
MW241.29 g/mol
LogP1.75
Rot. Bonds7

About methyl 5-[1-(2-ethoxyethylamino)ethyl]furan-2-carboxylate

methyl 5-[1-(2-ethoxyethylamino)ethyl]furan-2-carboxylate (PubChem CID 103230134) has the molecular formula C12H19NO4 and a molecular weight of 241.29 g/mol. Its IUPAC name is methyl 5-[1-(2-ethoxyethylamino)ethyl]furan-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[1-(2-ethoxyethylamino)ethyl]furan-2-carboxylate
PubChem CID103230134
Molecular FormulaC12H19NO4
Molecular Weight241.29 g/mol
Exact Mass241.13
IUPAC Namemethyl 5-[1-(2-ethoxyethylamino)ethyl]furan-2-carboxylate
SMILESCCOCCNC(C)c1ccc(C(=O)OC)o1
InChIInChI=1S/C12H19NO4/c1-4-16-8-7-13-9(2)10-5-6-11(17-10)12(14)15-3/h5-6,9,13H,4,7-8H2,1-3H3
InChIKeyNBRVZPXYKGEVDD-UHFFFAOYSA-N
XLogP1.75
TPSA60.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 51.75
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-[1-(3-methylsulfanylbutylamino)ethyl]furan-2-carboxylate
CID 103266742
methyl 5-[1-[[3-(ethylamino)-3-oxopropyl]amino]ethyl]furan-2-carboxylate
CID 103263193
methyl 5-[1-(but-3-ynylamino)ethyl]furan-2-carboxylate
CID 103251131
methyl 5-[1-[[3-oxo-3-(propylamino)propyl]amino]ethyl]furan-2-carboxylate
CID 103246824
methyl 5-[1-(2-cyclohexyloxyethylamino)ethyl]furan-2-carboxylate
CID 103251686
methyl 5-[1-[3-(dimethylamino)propylamino]ethyl]furan-2-carboxylate
CID 103235987
N-(2-ethoxyethyl)-1-(5-methylfuran-2-yl)ethanamine
CID 43403764
methyl 5-[1-[4-(dimethylamino)butylamino]ethyl]furan-2-carboxylate
CID 103244793
methyl 5-[1-(4,4,4-trifluorobutylamino)ethyl]furan-2-carboxylate
CID 103261934
5-[1-(2-methoxyethylamino)ethyl]furan-2-carboxylic acid
CID 103230958
methyl 5-[1-(hex-5-ynylamino)ethyl]furan-2-carboxylate
CID 114159289
methyl 5-[1-(4-imidazol-1-ylbutylamino)ethyl]furan-2-carboxylate
CID 103245031

Frequently Asked Questions

What is the IUPAC name of methyl 5-[1-(2-ethoxyethylamino)ethyl]furan-2-carboxylate?
The IUPAC name of methyl 5-[1-(2-ethoxyethylamino)ethyl]furan-2-carboxylate (CID 103230134) is methyl 5-[1-(2-ethoxyethylamino)ethyl]furan-2-carboxylate.
What is the SMILES notation for methyl 5-[1-(2-ethoxyethylamino)ethyl]furan-2-carboxylate?
The canonical SMILES for methyl 5-[1-(2-ethoxyethylamino)ethyl]furan-2-carboxylate is CCOCCNC(C)c1ccc(C(=O)OC)o1.
What is the InChIKey of methyl 5-[1-(2-ethoxyethylamino)ethyl]furan-2-carboxylate?
The InChIKey is NBRVZPXYKGEVDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO4/c1-4-16-8-7-13-9(2)10-5-6-11(17-10)12(14)15-3/h5-6,9,13H,4,7-8H2,1-3H3.
What are the key properties of methyl 5-[1-(2-ethoxyethylamino)ethyl]furan-2-carboxylate?
methyl 5-[1-(2-ethoxyethylamino)ethyl]furan-2-carboxylate has a molecular weight of 241.29 g/mol, XLogP of 1.75, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[1-(2-ethoxyethylamino)ethyl]furan-2-carboxylate is sourced from PubChem (CID 103230134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).