methyl 5-[[(2-methoxyphenyl)methyl-methylamino]methyl]-2-methylfuran-3-carboxylate

C17H21NO4 — CID 78789892

IUPACmethyl 5-[[(2-methoxyphenyl)methyl-methylamino]methyl]-2-methylfuran-3-carboxylate
SMILESCOC(=O)c1cc(CN(C)Cc2ccccc2OC)oc1C
InChIInChI=1S/C17H21NO4/c1-12-15(17(19)21-4)9-14(22-12)11-18(2)10-13-7-5-6-8-16(13)20-3/h5-9H,10-11H2,1-4H3
InChIKeyCTUFJQGTVODTHE-UHFFFAOYSA-N
MW303.36 g/mol
LogP3.02
Rot. Bonds6

About methyl 5-[[(2-methoxyphenyl)methyl-methylamino]methyl]-2-methylfuran-3-carboxylate

methyl 5-[[(2-methoxyphenyl)methyl-methylamino]methyl]-2-methylfuran-3-carboxylate (PubChem CID 78789892) has the molecular formula C17H21NO4 and a molecular weight of 303.36 g/mol. Its IUPAC name is methyl 5-[[(2-methoxyphenyl)methyl-methylamino]methyl]-2-methylfuran-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-[[(2-methoxyphenyl)methyl-methylamino]methyl]-2-methylfuran-3-carboxylate
PubChem CID78789892
Molecular FormulaC17H21NO4
Molecular Weight303.36 g/mol
Exact Mass303.15
IUPAC Namemethyl 5-[[(2-methoxyphenyl)methyl-methylamino]methyl]-2-methylfuran-3-carboxylate
SMILESCOC(=O)c1cc(CN(C)Cc2ccccc2OC)oc1C
InChIInChI=1S/C17H21NO4/c1-12-15(17(19)21-4)9-14(22-12)11-18(2)10-13-7-5-6-8-16(13)20-3/h5-9H,10-11H2,1-4H3
InChIKeyCTUFJQGTVODTHE-UHFFFAOYSA-N
XLogP3.02
TPSA51.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 5-[[(2-methoxyphenyl)methyl-methylamino]methyl]-2-methylfuran-3-carboxylate with MolForge

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Related Compounds

methyl 2-methyl-5-[[methyl-[(2-methylphenyl)methyl]amino]methyl]furan-3-carboxylate
CID 78789914
methyl 5-[[(5-chloro-2-methoxyphenyl)methyl-methylamino]methyl]-2-methylfuran-3-carboxylate
CID 35115828
methyl 5-[[cyclopropyl-[(2-methoxyphenyl)methyl]amino]methyl]-2-methylfuran-3-carboxylate
CID 78899184
methyl 5-[[[N-[(2-methoxyphenyl)methyl]-N,N'-dimethylcarbamimidoyl]amino]methyl]-2-methylfuran-3-carboxylate
CID 111281759
methyl 2-methyl-5-[[methyl-[(4-methylphenyl)methyl]amino]methyl]furan-3-carboxylate
CID 78790048
methyl 5-[[(1-cyanoindolizin-2-yl)methyl-methylamino]methyl]-2-methylfuran-3-carboxylate
CID 134036744
methyl 5-[[[N-[2-(2-methoxyphenyl)ethyl]-N'-methylcarbamimidoyl]amino]methyl]-2-methylfuran-3-carboxylate
CID 111340913
methyl 5-[[[2-(difluoromethoxy)phenyl]methylcarbamoyl-methylamino]methyl]-2-methylfuran-3-carboxylate
CID 55502317
methyl 5-[[(2-fluorobenzoyl)-methylamino]methyl]-2-methylfuran-3-carboxylate
CID 31711214
methyl 5-[[[2-(4-methoxyanilino)-2-oxoethyl]-methylamino]methyl]-2-methylfuran-3-carboxylate
CID 9222565
methyl 5-[[2-hydroxypropyl(propan-2-yl)amino]methyl]-2-methylfuran-3-carboxylate
CID 111107898
methyl 2-methyl-5-[[methyl-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]amino]methyl]furan-3-carboxylate
CID 71892122

Frequently Asked Questions

What is the IUPAC name of methyl 5-[[(2-methoxyphenyl)methyl-methylamino]methyl]-2-methylfuran-3-carboxylate?
The IUPAC name of methyl 5-[[(2-methoxyphenyl)methyl-methylamino]methyl]-2-methylfuran-3-carboxylate (CID 78789892) is methyl 5-[[(2-methoxyphenyl)methyl-methylamino]methyl]-2-methylfuran-3-carboxylate.
What is the SMILES notation for methyl 5-[[(2-methoxyphenyl)methyl-methylamino]methyl]-2-methylfuran-3-carboxylate?
The canonical SMILES for methyl 5-[[(2-methoxyphenyl)methyl-methylamino]methyl]-2-methylfuran-3-carboxylate is COC(=O)c1cc(CN(C)Cc2ccccc2OC)oc1C.
What is the InChIKey of methyl 5-[[(2-methoxyphenyl)methyl-methylamino]methyl]-2-methylfuran-3-carboxylate?
The InChIKey is CTUFJQGTVODTHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO4/c1-12-15(17(19)21-4)9-14(22-12)11-18(2)10-13-7-5-6-8-16(13)20-3/h5-9H,10-11H2,1-4H3.
What are the key properties of methyl 5-[[(2-methoxyphenyl)methyl-methylamino]methyl]-2-methylfuran-3-carboxylate?
methyl 5-[[(2-methoxyphenyl)methyl-methylamino]methyl]-2-methylfuran-3-carboxylate has a molecular weight of 303.36 g/mol, XLogP of 3.02, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[[(2-methoxyphenyl)methyl-methylamino]methyl]-2-methylfuran-3-carboxylate is sourced from PubChem (CID 78789892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).