methyl 5-[[ethyl(2-hydroxyethyl)amino]methyl]-3-methylfuran-2-carboxylate

C12H19NO4 — CID 60762881

IUPACmethyl 5-[[ethyl(2-hydroxyethyl)amino]methyl]-3-methylfuran-2-carboxylate
SMILESCCN(CCO)Cc1cc(C)c(C(=O)OC)o1
InChIInChI=1S/C12H19NO4/c1-4-13(5-6-14)8-10-7-9(2)11(17-10)12(15)16-3/h7,14H,4-6,8H2,1-3H3
InChIKeyMLSZHSPSIVZDKZ-UHFFFAOYSA-N
MW241.29 g/mol
LogP1.19
Rot. Bonds6

About methyl 5-[[ethyl(2-hydroxyethyl)amino]methyl]-3-methylfuran-2-carboxylate

methyl 5-[[ethyl(2-hydroxyethyl)amino]methyl]-3-methylfuran-2-carboxylate (PubChem CID 60762881) has the molecular formula C12H19NO4 and a molecular weight of 241.29 g/mol. Its IUPAC name is methyl 5-[[ethyl(2-hydroxyethyl)amino]methyl]-3-methylfuran-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[[ethyl(2-hydroxyethyl)amino]methyl]-3-methylfuran-2-carboxylate
PubChem CID60762881
Molecular FormulaC12H19NO4
Molecular Weight241.29 g/mol
Exact Mass241.13
IUPAC Namemethyl 5-[[ethyl(2-hydroxyethyl)amino]methyl]-3-methylfuran-2-carboxylate
SMILESCCN(CCO)Cc1cc(C)c(C(=O)OC)o1
InChIInChI=1S/C12H19NO4/c1-4-13(5-6-14)8-10-7-9(2)11(17-10)12(15)16-3/h7,14H,4-6,8H2,1-3H3
InChIKeyMLSZHSPSIVZDKZ-UHFFFAOYSA-N
XLogP1.19
TPSA62.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 5-[[2,2-difluoroethyl(2-hydroxyethyl)amino]methyl]-3-methylfuran-2-carboxylate
CID 107485669
methyl 5-[[N-(3-hydroxypropyl)anilino]methyl]-3-methylfuran-2-carboxylate
CID 111859973
methyl 5-[[3-hydroxybutyl(methyl)amino]methyl]-3-methylfuran-2-carboxylate
CID 111488799
N,5-diethyl-N-(2-hydroxyethyl)-3-methylfuran-2-carboxamide
CID 109468347
5-[[2,2-difluoroethyl(2-hydroxyethyl)amino]methyl]-3-methylfuran-2-carbohydrazide
CID 107493123
5-[(dipropylamino)methyl]-3-methylfuran-2-carboxylic acid
CID 43621043
methyl 3-methyl-5-[[methyl-[4-(methylamino)cyclohexyl]amino]methyl]furan-2-carboxylate
CID 79118658
methyl 4-chloro-3-[[ethyl(2-hydroxyethyl)amino]methyl]benzoate
CID 110027527
2-[(5-methoxycarbonyl-4-methylfuran-2-yl)methylsulfanyl]butanoic acid
CID 105352993
2-[1-[(5-methoxycarbonyl-4-methylfuran-2-yl)methylsulfanylmethyl]cyclopropyl]acetic acid
CID 65441726
methyl 3-methyl-5-[[methyl-[(2-morpholin-4-ylphenyl)methyl]amino]methyl]furan-2-carboxylate
CID 33196612
5-[[2-(diethylamino)ethylamino]methyl]-3-methylfuran-2-carboxylic acid
CID 103234085

Frequently Asked Questions

What is the IUPAC name of methyl 5-[[ethyl(2-hydroxyethyl)amino]methyl]-3-methylfuran-2-carboxylate?
The IUPAC name of methyl 5-[[ethyl(2-hydroxyethyl)amino]methyl]-3-methylfuran-2-carboxylate (CID 60762881) is methyl 5-[[ethyl(2-hydroxyethyl)amino]methyl]-3-methylfuran-2-carboxylate.
What is the SMILES notation for methyl 5-[[ethyl(2-hydroxyethyl)amino]methyl]-3-methylfuran-2-carboxylate?
The canonical SMILES for methyl 5-[[ethyl(2-hydroxyethyl)amino]methyl]-3-methylfuran-2-carboxylate is CCN(CCO)Cc1cc(C)c(C(=O)OC)o1.
What is the InChIKey of methyl 5-[[ethyl(2-hydroxyethyl)amino]methyl]-3-methylfuran-2-carboxylate?
The InChIKey is MLSZHSPSIVZDKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO4/c1-4-13(5-6-14)8-10-7-9(2)11(17-10)12(15)16-3/h7,14H,4-6,8H2,1-3H3.
What are the key properties of methyl 5-[[ethyl(2-hydroxyethyl)amino]methyl]-3-methylfuran-2-carboxylate?
methyl 5-[[ethyl(2-hydroxyethyl)amino]methyl]-3-methylfuran-2-carboxylate has a molecular weight of 241.29 g/mol, XLogP of 1.19, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[[ethyl(2-hydroxyethyl)amino]methyl]-3-methylfuran-2-carboxylate is sourced from PubChem (CID 60762881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).