methyl 5-[[(3-ethoxy-3-oxopropyl)-methylamino]methyl]furan-2-carboxylate

C13H19NO5 — CID 62012233

IUPACmethyl 5-[[(3-ethoxy-3-oxopropyl)-methylamino]methyl]furan-2-carboxylate
SMILESCCOC(=O)CCN(C)Cc1ccc(C(=O)OC)o1
InChIInChI=1S/C13H19NO5/c1-4-18-12(15)7-8-14(2)9-10-5-6-11(19-10)13(16)17-3/h5-6H,4,7-9H2,1-3H3
InChIKeyIRBSVUARJILVNF-UHFFFAOYSA-N
MW269.30 g/mol
LogP1.45
Rot. Bonds7

About methyl 5-[[(3-ethoxy-3-oxopropyl)-methylamino]methyl]furan-2-carboxylate

methyl 5-[[(3-ethoxy-3-oxopropyl)-methylamino]methyl]furan-2-carboxylate (PubChem CID 62012233) has the molecular formula C13H19NO5 and a molecular weight of 269.30 g/mol. Its IUPAC name is methyl 5-[[(3-ethoxy-3-oxopropyl)-methylamino]methyl]furan-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[[(3-ethoxy-3-oxopropyl)-methylamino]methyl]furan-2-carboxylate
PubChem CID62012233
Molecular FormulaC13H19NO5
Molecular Weight269.30 g/mol
Exact Mass269.13
IUPAC Namemethyl 5-[[(3-ethoxy-3-oxopropyl)-methylamino]methyl]furan-2-carboxylate
SMILESCCOC(=O)CCN(C)Cc1ccc(C(=O)OC)o1
InChIInChI=1S/C13H19NO5/c1-4-18-12(15)7-8-14(2)9-10-5-6-11(19-10)13(16)17-3/h5-6H,4,7-9H2,1-3H3
InChIKeyIRBSVUARJILVNF-UHFFFAOYSA-N
XLogP1.45
TPSA68.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 5-[[(3-methoxy-3-oxopropyl)-methylamino]methyl]furan-2-carboxylate
CID 62012653
methyl 4-[[(3-ethoxy-3-oxopropyl)-methylamino]methyl]benzoate
CID 62013375
methyl 5-[[(2-ethoxy-2-oxoethyl)amino]methyl]furan-2-carboxylate
CID 60810799
ethyl 3-[[4-(aminomethyl)phenyl]methyl-methylamino]propanoate
CID 63380492
methyl 3-[[(3-ethoxy-3-oxopropyl)-methylamino]methyl]furan-2-carboxylate
CID 62011256
methyl 5-(ethoxymethyl)furan-2-carboxylate
CID 4193919
methyl 5-[[2-(3-chlorophenoxy)ethyl-methylamino]methyl]furan-2-carboxylate
CID 55431674
methyl 5-[[benzyl(ethyl)amino]methyl]furan-2-carboxylate
CID 78807669
methyl 3-[(4-ethylphenyl)methyl-methylamino]propanoate
CID 60648146
methyl 5-[[(3-amino-2,2-dimethylpropyl)-propylamino]methyl]furan-2-carboxylate
CID 79661260
methyl 5-[(ethoxyamino)methyl]furan-2-carboxylate
CID 115279422
ethyl 3-[[2-(2-methoxy-2-oxoethyl)phenyl]methyl-methylamino]propanoate
CID 115463319

Frequently Asked Questions

What is the IUPAC name of methyl 5-[[(3-ethoxy-3-oxopropyl)-methylamino]methyl]furan-2-carboxylate?
The IUPAC name of methyl 5-[[(3-ethoxy-3-oxopropyl)-methylamino]methyl]furan-2-carboxylate (CID 62012233) is methyl 5-[[(3-ethoxy-3-oxopropyl)-methylamino]methyl]furan-2-carboxylate.
What is the SMILES notation for methyl 5-[[(3-ethoxy-3-oxopropyl)-methylamino]methyl]furan-2-carboxylate?
The canonical SMILES for methyl 5-[[(3-ethoxy-3-oxopropyl)-methylamino]methyl]furan-2-carboxylate is CCOC(=O)CCN(C)Cc1ccc(C(=O)OC)o1.
What is the InChIKey of methyl 5-[[(3-ethoxy-3-oxopropyl)-methylamino]methyl]furan-2-carboxylate?
The InChIKey is IRBSVUARJILVNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO5/c1-4-18-12(15)7-8-14(2)9-10-5-6-11(19-10)13(16)17-3/h5-6H,4,7-9H2,1-3H3.
What are the key properties of methyl 5-[[(3-ethoxy-3-oxopropyl)-methylamino]methyl]furan-2-carboxylate?
methyl 5-[[(3-ethoxy-3-oxopropyl)-methylamino]methyl]furan-2-carboxylate has a molecular weight of 269.30 g/mol, XLogP of 1.45, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[[(3-ethoxy-3-oxopropyl)-methylamino]methyl]furan-2-carboxylate is sourced from PubChem (CID 62012233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).