methyl 5-[1-[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]amino]ethyl]furan-2-carboxylate

C14H22N2O4 — CID 103722513

IUPACmethyl 5-[1-[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]amino]ethyl]furan-2-carboxylate
SMILESCNC(=O)C(C)CN(C)C(C)c1ccc(C(=O)OC)o1
InChIInChI=1S/C14H22N2O4/c1-9(13(17)15-3)8-16(4)10(2)11-6-7-12(20-11)14(18)19-5/h6-7,9-10H,8H2,1-5H3,(H,15,17)
InChIKeyNXYLBZXLJSPMJN-UHFFFAOYSA-N
MW282.34 g/mol
LogP1.44
Rot. Bonds6

About methyl 5-[1-[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]amino]ethyl]furan-2-carboxylate

methyl 5-[1-[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]amino]ethyl]furan-2-carboxylate (PubChem CID 103722513) has the molecular formula C14H22N2O4 and a molecular weight of 282.34 g/mol. Its IUPAC name is methyl 5-[1-[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]amino]ethyl]furan-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[1-[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]amino]ethyl]furan-2-carboxylate
PubChem CID103722513
Molecular FormulaC14H22N2O4
Molecular Weight282.34 g/mol
Exact Mass282.16
IUPAC Namemethyl 5-[1-[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]amino]ethyl]furan-2-carboxylate
SMILESCNC(=O)C(C)CN(C)C(C)c1ccc(C(=O)OC)o1
InChIInChI=1S/C14H22N2O4/c1-9(13(17)15-3)8-16(4)10(2)11-6-7-12(20-11)14(18)19-5/h6-7,9-10H,8H2,1-5H3,(H,15,17)
InChIKeyNXYLBZXLJSPMJN-UHFFFAOYSA-N
XLogP1.44
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 5-[1-[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]amino]ethyl]furan-2-carboxylate with MolForge

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Related Compounds

methyl 5-[1-[methyl-[2-(methylamino)-2-oxoethyl]amino]ethyl]furan-2-carboxylate
CID 79084264
methyl 5-[1-[butyl(methyl)amino]ethyl]furan-2-carboxylate
CID 112726846
methyl 5-[1-[(2-bromophenyl)methyl-methylamino]ethyl]furan-2-carboxylate
CID 78974983
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-[(5-chlorothiophen-2-yl)methyl-methylamino]ethyl]furan-2-carboxylate
CID 71897211
methyl 5-[1-[methyl-[(1-methylimidazol-2-yl)methyl]amino]ethyl]furan-2-carboxylate
CID 79090257
3-[[1-(4-ethylphenyl)-1-oxopropan-2-yl]-methylamino]-N,2-dimethylpropanamide
CID 106916575
methyl 5-[1-[[2-(methylamino)-2-oxoethyl]-propylamino]ethyl]furan-2-carboxylate
CID 79090923
methyl 5-[1-[methyl(oxan-3-ylmethyl)amino]ethyl]furan-2-carboxylate
CID 79091127
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

Frequently Asked Questions

What is the IUPAC name of methyl 5-[1-[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]amino]ethyl]furan-2-carboxylate?
The IUPAC name of methyl 5-[1-[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]amino]ethyl]furan-2-carboxylate (CID 103722513) is methyl 5-[1-[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]amino]ethyl]furan-2-carboxylate.
What is the SMILES notation for methyl 5-[1-[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]amino]ethyl]furan-2-carboxylate?
The canonical SMILES for methyl 5-[1-[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]amino]ethyl]furan-2-carboxylate is CNC(=O)C(C)CN(C)C(C)c1ccc(C(=O)OC)o1.
What is the InChIKey of methyl 5-[1-[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]amino]ethyl]furan-2-carboxylate?
The InChIKey is NXYLBZXLJSPMJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4/c1-9(13(17)15-3)8-16(4)10(2)11-6-7-12(20-11)14(18)19-5/h6-7,9-10H,8H2,1-5H3,(H,15,17).
What are the key properties of methyl 5-[1-[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]amino]ethyl]furan-2-carboxylate?
methyl 5-[1-[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]amino]ethyl]furan-2-carboxylate has a molecular weight of 282.34 g/mol, XLogP of 1.44, 6 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-methyl-3-(methylamino)-3-oxopropyl]amino]ethyl]furan-2-carboxylate is sourced from PubChem (CID 103722513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).