methyl 5-[[(2-hydroxy-3-propan-2-yloxypropyl)-methylamino]methyl]-2-methylfuran-3-carboxylate

C15H25NO5 — CID 78827719

IUPACmethyl 5-[[(2-hydroxy-3-propan-2-yloxypropyl)-methylamino]methyl]-2-methylfuran-3-carboxylate
SMILESCOC(=O)c1cc(CN(C)CC(O)COC(C)C)oc1C
InChIInChI=1S/C15H25NO5/c1-10(2)20-9-12(17)7-16(4)8-13-6-14(11(3)21-13)15(18)19-5/h6,10,12,17H,7-9H2,1-5H3
InChIKeyCITNOXRVAXBURP-UHFFFAOYSA-N
MW299.37 g/mol
LogP1.59
Rot. Bonds8

About methyl 5-[[(2-hydroxy-3-propan-2-yloxypropyl)-methylamino]methyl]-2-methylfuran-3-carboxylate

methyl 5-[[(2-hydroxy-3-propan-2-yloxypropyl)-methylamino]methyl]-2-methylfuran-3-carboxylate (PubChem CID 78827719) has the molecular formula C15H25NO5 and a molecular weight of 299.37 g/mol. Its IUPAC name is methyl 5-[[(2-hydroxy-3-propan-2-yloxypropyl)-methylamino]methyl]-2-methylfuran-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-[[(2-hydroxy-3-propan-2-yloxypropyl)-methylamino]methyl]-2-methylfuran-3-carboxylate
PubChem CID78827719
Molecular FormulaC15H25NO5
Molecular Weight299.37 g/mol
Exact Mass299.17
IUPAC Namemethyl 5-[[(2-hydroxy-3-propan-2-yloxypropyl)-methylamino]methyl]-2-methylfuran-3-carboxylate
SMILESCOC(=O)c1cc(CN(C)CC(O)COC(C)C)oc1C
InChIInChI=1S/C15H25NO5/c1-10(2)20-9-12(17)7-16(4)8-13-6-14(11(3)21-13)15(18)19-5/h6,10,12,17H,7-9H2,1-5H3
InChIKeyCITNOXRVAXBURP-UHFFFAOYSA-N
XLogP1.59
TPSA72.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 5-[[(2-hydroxy-3-propan-2-yloxypropyl)-methylamino]methyl]-2-methylfuran-3-carboxylate with MolForge

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Related Compounds

methyl 5-[[2-hydroxypropyl(propan-2-yl)amino]methyl]-2-methylfuran-3-carboxylate
CID 111107898
methyl 2-methyl-5-[[methyl-[(4-methylphenyl)methyl]amino]methyl]furan-3-carboxylate
CID 78790048
methyl 2-methyl-5-[[methyl(2-methylbutanoyl)amino]methyl]furan-3-carboxylate
CID 134037285
methyl 2-methyl-5-[[methyl-[(2-methylphenyl)methyl]amino]methyl]furan-3-carboxylate
CID 78789914
2-methyl-5-[[methyl(2-methylpropyl)amino]methyl]furan-3-carboxylic acid
CID 43477425
methyl 5-[[(2-methoxyphenyl)methyl-methylamino]methyl]-2-methylfuran-3-carboxylate
CID 78789892
methyl 5-[[(2,5-dimethylfuran-3-carbonyl)-methylamino]methyl]-2-methylfuran-3-carboxylate
CID 34484533
methyl 5-[[[2-(methoxycarbonylamino)-4-methylpentanoyl]-methylamino]methyl]-2-methylfuran-3-carboxylate
CID 47990211
methyl 5-[[(5-chloro-2-methoxyphenyl)methyl-methylamino]methyl]-2-methylfuran-3-carboxylate
CID 35115828
methyl 2-methyl-5-[[methyl-(2,4,5-trimethylfuran-3-carbonyl)amino]methyl]furan-3-carboxylate
CID 34484891
methyl 5-[[cyclohexyl(methyl)amino]methyl]-2-methylfuran-3-carboxylate
CID 39903877
methyl 5-[[(3-hydroxy-4-methoxybutyl)amino]methyl]-2-methylfuran-3-carboxylate
CID 103923948

Frequently Asked Questions

What is the IUPAC name of methyl 5-[[(2-hydroxy-3-propan-2-yloxypropyl)-methylamino]methyl]-2-methylfuran-3-carboxylate?
The IUPAC name of methyl 5-[[(2-hydroxy-3-propan-2-yloxypropyl)-methylamino]methyl]-2-methylfuran-3-carboxylate (CID 78827719) is methyl 5-[[(2-hydroxy-3-propan-2-yloxypropyl)-methylamino]methyl]-2-methylfuran-3-carboxylate.
What is the SMILES notation for methyl 5-[[(2-hydroxy-3-propan-2-yloxypropyl)-methylamino]methyl]-2-methylfuran-3-carboxylate?
The canonical SMILES for methyl 5-[[(2-hydroxy-3-propan-2-yloxypropyl)-methylamino]methyl]-2-methylfuran-3-carboxylate is COC(=O)c1cc(CN(C)CC(O)COC(C)C)oc1C.
What is the InChIKey of methyl 5-[[(2-hydroxy-3-propan-2-yloxypropyl)-methylamino]methyl]-2-methylfuran-3-carboxylate?
The InChIKey is CITNOXRVAXBURP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO5/c1-10(2)20-9-12(17)7-16(4)8-13-6-14(11(3)21-13)15(18)19-5/h6,10,12,17H,7-9H2,1-5H3.
What are the key properties of methyl 5-[[(2-hydroxy-3-propan-2-yloxypropyl)-methylamino]methyl]-2-methylfuran-3-carboxylate?
methyl 5-[[(2-hydroxy-3-propan-2-yloxypropyl)-methylamino]methyl]-2-methylfuran-3-carboxylate has a molecular weight of 299.37 g/mol, XLogP of 1.59, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[[(2-hydroxy-3-propan-2-yloxypropyl)-methylamino]methyl]-2-methylfuran-3-carboxylate is sourced from PubChem (CID 78827719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).