methyl 5-[(2,3-dimethylbutylamino)methyl]-2-methylfuran-3-carboxylate

C14H23NO3 — CID 64569272

IUPACmethyl 5-[(2,3-dimethylbutylamino)methyl]-2-methylfuran-3-carboxylate
SMILESCOC(=O)c1cc(CNCC(C)C(C)C)oc1C
InChIInChI=1S/C14H23NO3/c1-9(2)10(3)7-15-8-12-6-13(11(4)18-12)14(16)17-5/h6,9-10,15H,7-8H2,1-5H3
InChIKeyOADMWAZZIZVOAC-UHFFFAOYSA-N
MW253.34 g/mol
LogP2.76
Rot. Bonds6

About methyl 5-[(2,3-dimethylbutylamino)methyl]-2-methylfuran-3-carboxylate

methyl 5-[(2,3-dimethylbutylamino)methyl]-2-methylfuran-3-carboxylate (PubChem CID 64569272) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is methyl 5-[(2,3-dimethylbutylamino)methyl]-2-methylfuran-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-[(2,3-dimethylbutylamino)methyl]-2-methylfuran-3-carboxylate
PubChem CID64569272
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC Namemethyl 5-[(2,3-dimethylbutylamino)methyl]-2-methylfuran-3-carboxylate
SMILESCOC(=O)c1cc(CNCC(C)C(C)C)oc1C
InChIInChI=1S/C14H23NO3/c1-9(2)10(3)7-15-8-12-6-13(11(4)18-12)14(16)17-5/h6,9-10,15H,7-8H2,1-5H3
InChIKeyOADMWAZZIZVOAC-UHFFFAOYSA-N
XLogP2.76
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 5-[[(4-methoxycarbonyl-5-methylfuran-2-yl)methylcarbamoylamino]methyl]-2-methylfuran-3-carboxylate
CID 51116970
methyl 5-[[[(2R)-1-hydroxypropan-2-yl]amino]methyl]-2-methylfuran-3-carboxylate
CID 114985528
3-[(4-methoxycarbonyl-5-methylfuran-2-yl)methylamino]propanoic acid
CID 43774846
methyl 2-methyl-5-[(3-methylsulfinylbutylamino)methyl]furan-3-carboxylate
CID 115924392
methyl 5-[[(3-hydroxy-4-methoxybutyl)amino]methyl]-2-methylfuran-3-carboxylate
CID 103923948
methyl 2-methyl-5-[(pent-4-ynylamino)methyl]furan-3-carboxylate
CID 103923406
methyl 5-[(1-cyclopropylethylamino)methyl]-2-methylfuran-3-carboxylate
CID 43231961
methyl 5-[[[2-(tert-butylamino)-2-oxoethyl]amino]methyl]-2-methylfuran-3-carboxylate
CID 115278913
methyl 5-[[(2,2-difluoro-3-hydroxypropyl)amino]methyl]-2-methylfuran-3-carboxylate
CID 113472111
methyl 5-[[[2-(dimethylamino)-2-methylpropyl]amino]methyl]-2-methylfuran-3-carboxylate
CID 43231477
methyl 2-methyl-5-[[[(E)-pent-3-enyl]amino]methyl]furan-3-carboxylate
CID 115907444
methyl 5-[[(2,5-difluorophenyl)methylamino]methyl]-2-methylfuran-3-carboxylate
CID 63794276

Frequently Asked Questions

What is the IUPAC name of methyl 5-[(2,3-dimethylbutylamino)methyl]-2-methylfuran-3-carboxylate?
The IUPAC name of methyl 5-[(2,3-dimethylbutylamino)methyl]-2-methylfuran-3-carboxylate (CID 64569272) is methyl 5-[(2,3-dimethylbutylamino)methyl]-2-methylfuran-3-carboxylate.
What is the SMILES notation for methyl 5-[(2,3-dimethylbutylamino)methyl]-2-methylfuran-3-carboxylate?
The canonical SMILES for methyl 5-[(2,3-dimethylbutylamino)methyl]-2-methylfuran-3-carboxylate is COC(=O)c1cc(CNCC(C)C(C)C)oc1C.
What is the InChIKey of methyl 5-[(2,3-dimethylbutylamino)methyl]-2-methylfuran-3-carboxylate?
The InChIKey is OADMWAZZIZVOAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3/c1-9(2)10(3)7-15-8-12-6-13(11(4)18-12)14(16)17-5/h6,9-10,15H,7-8H2,1-5H3.
What are the key properties of methyl 5-[(2,3-dimethylbutylamino)methyl]-2-methylfuran-3-carboxylate?
methyl 5-[(2,3-dimethylbutylamino)methyl]-2-methylfuran-3-carboxylate has a molecular weight of 253.34 g/mol, XLogP of 2.76, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[(2,3-dimethylbutylamino)methyl]-2-methylfuran-3-carboxylate is sourced from PubChem (CID 64569272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).