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

C13H19NO5 — CID 62011256

IUPACmethyl 3-[[(3-ethoxy-3-oxopropyl)-methylamino]methyl]furan-2-carboxylate
SMILESCCOC(=O)CCN(C)Cc1ccoc1C(=O)OC
InChIInChI=1S/C13H19NO5/c1-4-18-11(15)5-7-14(2)9-10-6-8-19-12(10)13(16)17-3/h6,8H,4-5,7,9H2,1-3H3
InChIKeyORTWYBGLCDHWFK-UHFFFAOYSA-N
MW269.30 g/mol
LogP1.45
Rot. Bonds7

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

methyl 3-[[(3-ethoxy-3-oxopropyl)-methylamino]methyl]furan-2-carboxylate (PubChem CID 62011256) has the molecular formula C13H19NO5 and a molecular weight of 269.30 g/mol. Its IUPAC name is methyl 3-[[(3-ethoxy-3-oxopropyl)-methylamino]methyl]furan-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[[(3-ethoxy-3-oxopropyl)-methylamino]methyl]furan-2-carboxylate
PubChem CID62011256
Molecular FormulaC13H19NO5
Molecular Weight269.30 g/mol
Exact Mass269.13
IUPAC Namemethyl 3-[[(3-ethoxy-3-oxopropyl)-methylamino]methyl]furan-2-carboxylate
SMILESCCOC(=O)CCN(C)Cc1ccoc1C(=O)OC
InChIInChI=1S/C13H19NO5/c1-4-18-11(15)5-7-14(2)9-10-6-8-19-12(10)13(16)17-3/h6,8H,4-5,7,9H2,1-3H3
InChIKeyORTWYBGLCDHWFK-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 3-[[2-aminoethyl(methyl)amino]methyl]furan-2-carboxylate
CID 62688268
methyl 3-[[(2-ethoxy-2-oxoethyl)-prop-2-enylamino]methyl]furan-2-carboxylate
CID 78977603
ethyl 3-[[2-(2-methoxy-2-oxoethyl)phenyl]methyl-methylamino]propanoate
CID 115463319
methyl 4-[[(3-ethoxy-3-oxopropyl)-methylamino]methyl]benzoate
CID 62013375
methyl 5-[[(3-ethoxy-3-oxopropyl)-methylamino]methyl]furan-2-carboxylate
CID 62012233
methyl 3-[[2-(dimethylamino)ethylamino]methyl]furan-2-carboxylate
CID 43424817
methyl 3-[[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl-methylamino]methyl]furan-2-carboxylate
CID 55462277
3-[(dimethylamino)methyl]furan-2-carbohydrazide
CID 63571555
methyl 3-[(N-ethyl-2-methylanilino)methyl]furan-2-carboxylate
CID 78902588
3-[methyl-[(2-methylfuran-3-yl)methyl]amino]propanehydrazide
CID 63578941
methyl 3-[[2-(diethylamino)ethylamino]methyl]furan-2-carboxylate
CID 43425084
methyl 4-[(3-ethoxy-3-oxopropyl)-methylamino]pyrimidine-2-carboxylate
CID 66287348

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[(3-ethoxy-3-oxopropyl)-methylamino]methyl]furan-2-carboxylate?
The IUPAC name of methyl 3-[[(3-ethoxy-3-oxopropyl)-methylamino]methyl]furan-2-carboxylate (CID 62011256) is methyl 3-[[(3-ethoxy-3-oxopropyl)-methylamino]methyl]furan-2-carboxylate.
What is the SMILES notation for methyl 3-[[(3-ethoxy-3-oxopropyl)-methylamino]methyl]furan-2-carboxylate?
The canonical SMILES for methyl 3-[[(3-ethoxy-3-oxopropyl)-methylamino]methyl]furan-2-carboxylate is CCOC(=O)CCN(C)Cc1ccoc1C(=O)OC.
What is the InChIKey of methyl 3-[[(3-ethoxy-3-oxopropyl)-methylamino]methyl]furan-2-carboxylate?
The InChIKey is ORTWYBGLCDHWFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO5/c1-4-18-11(15)5-7-14(2)9-10-6-8-19-12(10)13(16)17-3/h6,8H,4-5,7,9H2,1-3H3.
What are the key properties of methyl 3-[[(3-ethoxy-3-oxopropyl)-methylamino]methyl]furan-2-carboxylate?
methyl 3-[[(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 3-[[(3-ethoxy-3-oxopropyl)-methylamino]methyl]furan-2-carboxylate is sourced from PubChem (CID 62011256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).