methyl 5-[[[2-(tert-butylamino)-2-oxoethyl]amino]methyl]-2-methylfuran-3-carboxylate

C14H22N2O4 — CID 115278913

IUPACmethyl 5-[[[2-(tert-butylamino)-2-oxoethyl]amino]methyl]-2-methylfuran-3-carboxylate
SMILESCOC(=O)c1cc(CNCC(=O)NC(C)(C)C)oc1C
InChIInChI=1S/C14H22N2O4/c1-9-11(13(18)19-5)6-10(20-9)7-15-8-12(17)16-14(2,3)4/h6,15H,7-8H2,1-5H3,(H,16,17)
InChIKeyLSOLPGQFCRSRRH-UHFFFAOYSA-N
MW282.34 g/mol
LogP1.38
Rot. Bonds5

About methyl 5-[[[2-(tert-butylamino)-2-oxoethyl]amino]methyl]-2-methylfuran-3-carboxylate

methyl 5-[[[2-(tert-butylamino)-2-oxoethyl]amino]methyl]-2-methylfuran-3-carboxylate (PubChem CID 115278913) has the molecular formula C14H22N2O4 and a molecular weight of 282.34 g/mol. Its IUPAC name is methyl 5-[[[2-(tert-butylamino)-2-oxoethyl]amino]methyl]-2-methylfuran-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-[[[2-(tert-butylamino)-2-oxoethyl]amino]methyl]-2-methylfuran-3-carboxylate
PubChem CID115278913
Molecular FormulaC14H22N2O4
Molecular Weight282.34 g/mol
Exact Mass282.16
IUPAC Namemethyl 5-[[[2-(tert-butylamino)-2-oxoethyl]amino]methyl]-2-methylfuran-3-carboxylate
SMILESCOC(=O)c1cc(CNCC(=O)NC(C)(C)C)oc1C
InChIInChI=1S/C14H22N2O4/c1-9-11(13(18)19-5)6-10(20-9)7-15-8-12(17)16-14(2,3)4/h6,15H,7-8H2,1-5H3,(H,16,17)
InChIKeyLSOLPGQFCRSRRH-UHFFFAOYSA-N
XLogP1.38
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl 5-[[[2-(tert-butylamino)-2-oxoethyl]amino]methyl]-2-methylfuran-3-carboxylate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 5-[[[2-(tert-butylamino)-2-oxoethyl]amino]methyl]-2-methylfuran-3-carboxylate?
The IUPAC name of methyl 5-[[[2-(tert-butylamino)-2-oxoethyl]amino]methyl]-2-methylfuran-3-carboxylate (CID 115278913) is methyl 5-[[[2-(tert-butylamino)-2-oxoethyl]amino]methyl]-2-methylfuran-3-carboxylate.
What is the SMILES notation for methyl 5-[[[2-(tert-butylamino)-2-oxoethyl]amino]methyl]-2-methylfuran-3-carboxylate?
The canonical SMILES for methyl 5-[[[2-(tert-butylamino)-2-oxoethyl]amino]methyl]-2-methylfuran-3-carboxylate is COC(=O)c1cc(CNCC(=O)NC(C)(C)C)oc1C.
What is the InChIKey of methyl 5-[[[2-(tert-butylamino)-2-oxoethyl]amino]methyl]-2-methylfuran-3-carboxylate?
The InChIKey is LSOLPGQFCRSRRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4/c1-9-11(13(18)19-5)6-10(20-9)7-15-8-12(17)16-14(2,3)4/h6,15H,7-8H2,1-5H3,(H,16,17).
What are the key properties of methyl 5-[[[2-(tert-butylamino)-2-oxoethyl]amino]methyl]-2-methylfuran-3-carboxylate?
methyl 5-[[[2-(tert-butylamino)-2-oxoethyl]amino]methyl]-2-methylfuran-3-carboxylate has a molecular weight of 282.34 g/mol, XLogP of 1.38, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[[[2-(tert-butylamino)-2-oxoethyl]amino]methyl]-2-methylfuran-3-carboxylate is sourced from PubChem (CID 115278913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).