methyl 2-[[[2-(dimethylamino)-2-oxoethyl]-methylamino]methyl]furan-3-carboxylate

C12H18N2O4 — CID 51075351

IUPACmethyl 2-[[[2-(dimethylamino)-2-oxoethyl]-methylamino]methyl]furan-3-carboxylate
SMILESCOC(=O)c1ccoc1CN(C)CC(=O)N(C)C
InChIInChI=1S/C12H18N2O4/c1-13(2)11(15)8-14(3)7-10-9(5-6-18-10)12(16)17-4/h5-6H,7-8H2,1-4H3
InChIKeyRDYHISHDKPUVRX-UHFFFAOYSA-N
MW254.29 g/mol
LogP0.59
Rot. Bonds5

About methyl 2-[[[2-(dimethylamino)-2-oxoethyl]-methylamino]methyl]furan-3-carboxylate

methyl 2-[[[2-(dimethylamino)-2-oxoethyl]-methylamino]methyl]furan-3-carboxylate (PubChem CID 51075351) has the molecular formula C12H18N2O4 and a molecular weight of 254.29 g/mol. Its IUPAC name is methyl 2-[[[2-(dimethylamino)-2-oxoethyl]-methylamino]methyl]furan-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-[[[2-(dimethylamino)-2-oxoethyl]-methylamino]methyl]furan-3-carboxylate
PubChem CID51075351
Molecular FormulaC12H18N2O4
Molecular Weight254.29 g/mol
Exact Mass254.13
IUPAC Namemethyl 2-[[[2-(dimethylamino)-2-oxoethyl]-methylamino]methyl]furan-3-carboxylate
SMILESCOC(=O)c1ccoc1CN(C)CC(=O)N(C)C
InChIInChI=1S/C12H18N2O4/c1-13(2)11(15)8-14(3)7-10-9(5-6-18-10)12(16)17-4/h5-6H,7-8H2,1-4H3
InChIKeyRDYHISHDKPUVRX-UHFFFAOYSA-N
XLogP0.59
TPSA62.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 50.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[[[2-(dimethylamino)-2-oxoethyl]-methylamino]methyl]furan-3-carboxylate?
The IUPAC name of methyl 2-[[[2-(dimethylamino)-2-oxoethyl]-methylamino]methyl]furan-3-carboxylate (CID 51075351) is methyl 2-[[[2-(dimethylamino)-2-oxoethyl]-methylamino]methyl]furan-3-carboxylate.
What is the SMILES notation for methyl 2-[[[2-(dimethylamino)-2-oxoethyl]-methylamino]methyl]furan-3-carboxylate?
The canonical SMILES for methyl 2-[[[2-(dimethylamino)-2-oxoethyl]-methylamino]methyl]furan-3-carboxylate is COC(=O)c1ccoc1CN(C)CC(=O)N(C)C.
What is the InChIKey of methyl 2-[[[2-(dimethylamino)-2-oxoethyl]-methylamino]methyl]furan-3-carboxylate?
The InChIKey is RDYHISHDKPUVRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O4/c1-13(2)11(15)8-14(3)7-10-9(5-6-18-10)12(16)17-4/h5-6H,7-8H2,1-4H3.
What are the key properties of methyl 2-[[[2-(dimethylamino)-2-oxoethyl]-methylamino]methyl]furan-3-carboxylate?
methyl 2-[[[2-(dimethylamino)-2-oxoethyl]-methylamino]methyl]furan-3-carboxylate has a molecular weight of 254.29 g/mol, XLogP of 0.59, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[[2-(dimethylamino)-2-oxoethyl]-methylamino]methyl]furan-3-carboxylate is sourced from PubChem (CID 51075351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).