methyl 3-[[[2-[ethyl(methyl)amino]-2-oxoethyl]amino]methyl]furan-2-carboxylate

C12H18N2O4 — CID 104928237

IUPACmethyl 3-[[[2-[ethyl(methyl)amino]-2-oxoethyl]amino]methyl]furan-2-carboxylate
SMILESCCN(C)C(=O)CNCc1ccoc1C(=O)OC
InChIInChI=1S/C12H18N2O4/c1-4-14(2)10(15)8-13-7-9-5-6-18-11(9)12(16)17-3/h5-6,13H,4,7-8H2,1-3H3
InChIKeyXMDKDBLTESREFT-UHFFFAOYSA-N
MW254.29 g/mol
LogP0.63
Rot. Bonds6

About methyl 3-[[[2-[ethyl(methyl)amino]-2-oxoethyl]amino]methyl]furan-2-carboxylate

methyl 3-[[[2-[ethyl(methyl)amino]-2-oxoethyl]amino]methyl]furan-2-carboxylate (PubChem CID 104928237) has the molecular formula C12H18N2O4 and a molecular weight of 254.29 g/mol. Its IUPAC name is methyl 3-[[[2-[ethyl(methyl)amino]-2-oxoethyl]amino]methyl]furan-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[[[2-[ethyl(methyl)amino]-2-oxoethyl]amino]methyl]furan-2-carboxylate
PubChem CID104928237
Molecular FormulaC12H18N2O4
Molecular Weight254.29 g/mol
Exact Mass254.13
IUPAC Namemethyl 3-[[[2-[ethyl(methyl)amino]-2-oxoethyl]amino]methyl]furan-2-carboxylate
SMILESCCN(C)C(=O)CNCc1ccoc1C(=O)OC
InChIInChI=1S/C12H18N2O4/c1-4-14(2)10(15)8-13-7-9-5-6-18-11(9)12(16)17-3/h5-6,13H,4,7-8H2,1-3H3
InChIKeyXMDKDBLTESREFT-UHFFFAOYSA-N
XLogP0.63
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 3-[[[2-[ethyl(methyl)amino]-2-oxoethyl]amino]methyl]furan-2-carboxylate with MolForge

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Related Compounds

methyl 3-[[2-(dimethylamino)ethylamino]methyl]furan-2-carboxylate
CID 43424817
methyl 3-[[2-(diethylamino)ethylamino]methyl]furan-2-carboxylate
CID 43425084
methyl 3-[[[2-oxo-2-(propan-2-ylamino)ethyl]amino]methyl]furan-2-carboxylate
CID 43777897
methyl 3-[[(4-ethylphenyl)methylamino]methyl]furan-2-carboxylate
CID 103827308
3-[[[2-(diethylamino)-2-oxoethyl]amino]methyl]furan-2-carboxylic acid
CID 103263564
methyl 3-[[[1-(dimethylamino)cyclobutyl]methylamino]methyl]furan-2-carboxylate
CID 105415506
methyl 3-[[[3-(dimethylamino)-2,2-dimethylpropyl]amino]methyl]furan-2-carboxylate
CID 43234477
methyl 3-[(2-ethylsulfonylethylamino)methyl]furan-2-carboxylate
CID 103921879
methyl 3-[(cyclopentylmethylamino)methyl]furan-2-carboxylate
CID 43775570
methyl 3-[[1-(dimethylamino)propan-2-ylamino]methyl]furan-2-carboxylate
CID 82945092
methyl 3-[[[1-(dimethylamino)cyclohexyl]methylamino]methyl]furan-2-carboxylate
CID 43425240
methyl 3-[[[1-(dimethylamino)-3-methylbutan-2-yl]amino]methyl]furan-2-carboxylate
CID 61476816

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[[2-[ethyl(methyl)amino]-2-oxoethyl]amino]methyl]furan-2-carboxylate?
The IUPAC name of methyl 3-[[[2-[ethyl(methyl)amino]-2-oxoethyl]amino]methyl]furan-2-carboxylate (CID 104928237) is methyl 3-[[[2-[ethyl(methyl)amino]-2-oxoethyl]amino]methyl]furan-2-carboxylate.
What is the SMILES notation for methyl 3-[[[2-[ethyl(methyl)amino]-2-oxoethyl]amino]methyl]furan-2-carboxylate?
The canonical SMILES for methyl 3-[[[2-[ethyl(methyl)amino]-2-oxoethyl]amino]methyl]furan-2-carboxylate is CCN(C)C(=O)CNCc1ccoc1C(=O)OC.
What is the InChIKey of methyl 3-[[[2-[ethyl(methyl)amino]-2-oxoethyl]amino]methyl]furan-2-carboxylate?
The InChIKey is XMDKDBLTESREFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O4/c1-4-14(2)10(15)8-13-7-9-5-6-18-11(9)12(16)17-3/h5-6,13H,4,7-8H2,1-3H3.
What are the key properties of methyl 3-[[[2-[ethyl(methyl)amino]-2-oxoethyl]amino]methyl]furan-2-carboxylate?
methyl 3-[[[2-[ethyl(methyl)amino]-2-oxoethyl]amino]methyl]furan-2-carboxylate has a molecular weight of 254.29 g/mol, XLogP of 0.63, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[[2-[ethyl(methyl)amino]-2-oxoethyl]amino]methyl]furan-2-carboxylate is sourced from PubChem (CID 104928237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).