methyl 5-[1-[methyl-[2-(methylamino)-2-oxoethyl]amino]ethyl]furan-2-carboxylate

C12H18N2O4 — CID 79084264

IUPACmethyl 5-[1-[methyl-[2-(methylamino)-2-oxoethyl]amino]ethyl]furan-2-carboxylate
SMILESCNC(=O)CN(C)C(C)c1ccc(C(=O)OC)o1
InChIInChI=1S/C12H18N2O4/c1-8(14(3)7-11(15)13-2)9-5-6-10(18-9)12(16)17-4/h5-6,8H,7H2,1-4H3,(H,13,15)
InChIKeyLCTBSBYMTMRHQE-UHFFFAOYSA-N
MW254.29 g/mol
LogP0.81
Rot. Bonds5

About methyl 5-[1-[methyl-[2-(methylamino)-2-oxoethyl]amino]ethyl]furan-2-carboxylate

methyl 5-[1-[methyl-[2-(methylamino)-2-oxoethyl]amino]ethyl]furan-2-carboxylate (PubChem CID 79084264) has the molecular formula C12H18N2O4 and a molecular weight of 254.29 g/mol. Its IUPAC name is methyl 5-[1-[methyl-[2-(methylamino)-2-oxoethyl]amino]ethyl]furan-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[1-[methyl-[2-(methylamino)-2-oxoethyl]amino]ethyl]furan-2-carboxylate
PubChem CID79084264
Molecular FormulaC12H18N2O4
Molecular Weight254.29 g/mol
Exact Mass254.13
IUPAC Namemethyl 5-[1-[methyl-[2-(methylamino)-2-oxoethyl]amino]ethyl]furan-2-carboxylate
SMILESCNC(=O)CN(C)C(C)c1ccc(C(=O)OC)o1
InChIInChI=1S/C12H18N2O4/c1-8(14(3)7-11(15)13-2)9-5-6-10(18-9)12(16)17-4/h5-6,8H,7H2,1-4H3,(H,13,15)
InChIKeyLCTBSBYMTMRHQE-UHFFFAOYSA-N
XLogP0.81
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 5-[1-[methyl-[2-(methylamino)-2-oxoethyl]amino]ethyl]furan-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 5-[1-[[2-(methylamino)-2-oxoethyl]-propylamino]ethyl]furan-2-carboxylate
CID 79090923
methyl 5-[1-[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]amino]ethyl]furan-2-carboxylate
CID 103722513
methyl 5-[1-[butyl(methyl)amino]ethyl]furan-2-carboxylate
CID 112726846
methyl 5-[1-[methyl-[(2-methylcyclopropyl)methyl]amino]ethyl]furan-2-carboxylate
CID 79090070
methyl 5-[1-[methyl(2-pyridin-4-ylethyl)amino]ethyl]furan-2-carboxylate
CID 79086387
methyl 5-[1-[(2-bromophenyl)methyl-methylamino]ethyl]furan-2-carboxylate
CID 78974983
methyl 5-[1-[(5-chlorothiophen-2-yl)methyl-methylamino]ethyl]furan-2-carboxylate
CID 71897211
methyl 5-[1-[(2-amino-2-oxoethyl)-ethylamino]ethyl]furan-2-carboxylate
CID 103102938
methyl 5-[1-[[2-(dimethylamino)-2-oxoethyl]-propylamino]ethyl]furan-2-carboxylate
CID 79084995
methyl 5-[1-[methyl-[(1-methylimidazol-2-yl)methyl]amino]ethyl]furan-2-carboxylate
CID 79090257
methyl 5-[1-[methyl(oxan-3-ylmethyl)amino]ethyl]furan-2-carboxylate
CID 79091127
methyl 5-(1-propylsulfanylethyl)furan-2-carboxylate
CID 79083901

Frequently Asked Questions

What is the IUPAC name of methyl 5-[1-[methyl-[2-(methylamino)-2-oxoethyl]amino]ethyl]furan-2-carboxylate?
The IUPAC name of methyl 5-[1-[methyl-[2-(methylamino)-2-oxoethyl]amino]ethyl]furan-2-carboxylate (CID 79084264) is methyl 5-[1-[methyl-[2-(methylamino)-2-oxoethyl]amino]ethyl]furan-2-carboxylate.
What is the SMILES notation for methyl 5-[1-[methyl-[2-(methylamino)-2-oxoethyl]amino]ethyl]furan-2-carboxylate?
The canonical SMILES for methyl 5-[1-[methyl-[2-(methylamino)-2-oxoethyl]amino]ethyl]furan-2-carboxylate is CNC(=O)CN(C)C(C)c1ccc(C(=O)OC)o1.
What is the InChIKey of methyl 5-[1-[methyl-[2-(methylamino)-2-oxoethyl]amino]ethyl]furan-2-carboxylate?
The InChIKey is LCTBSBYMTMRHQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O4/c1-8(14(3)7-11(15)13-2)9-5-6-10(18-9)12(16)17-4/h5-6,8H,7H2,1-4H3,(H,13,15).
What are the key properties of methyl 5-[1-[methyl-[2-(methylamino)-2-oxoethyl]amino]ethyl]furan-2-carboxylate?
methyl 5-[1-[methyl-[2-(methylamino)-2-oxoethyl]amino]ethyl]furan-2-carboxylate has a molecular weight of 254.29 g/mol, XLogP of 0.81, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[1-[methyl-[2-(methylamino)-2-oxoethyl]amino]ethyl]furan-2-carboxylate is sourced from PubChem (CID 79084264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).