methyl 2-methyl-5-[[methyl-[(4-methylphenyl)methyl]amino]methyl]furan-3-carboxylate

C17H21NO3 — CID 78790048

IUPACmethyl 2-methyl-5-[[methyl-[(4-methylphenyl)methyl]amino]methyl]furan-3-carboxylate
SMILESCOC(=O)c1cc(CN(C)Cc2ccc(C)cc2)oc1C
InChIInChI=1S/C17H21NO3/c1-12-5-7-14(8-6-12)10-18(3)11-15-9-16(13(2)21-15)17(19)20-4/h5-9H,10-11H2,1-4H3
InChIKeyZHHOSUNHBRCPNR-UHFFFAOYSA-N
MW287.36 g/mol
LogP3.32
Rot. Bonds5

About methyl 2-methyl-5-[[methyl-[(4-methylphenyl)methyl]amino]methyl]furan-3-carboxylate

methyl 2-methyl-5-[[methyl-[(4-methylphenyl)methyl]amino]methyl]furan-3-carboxylate (PubChem CID 78790048) has the molecular formula C17H21NO3 and a molecular weight of 287.36 g/mol. Its IUPAC name is methyl 2-methyl-5-[[methyl-[(4-methylphenyl)methyl]amino]methyl]furan-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-methyl-5-[[methyl-[(4-methylphenyl)methyl]amino]methyl]furan-3-carboxylate
PubChem CID78790048
Molecular FormulaC17H21NO3
Molecular Weight287.36 g/mol
Exact Mass287.15
IUPAC Namemethyl 2-methyl-5-[[methyl-[(4-methylphenyl)methyl]amino]methyl]furan-3-carboxylate
SMILESCOC(=O)c1cc(CN(C)Cc2ccc(C)cc2)oc1C
InChIInChI=1S/C17H21NO3/c1-12-5-7-14(8-6-12)10-18(3)11-15-9-16(13(2)21-15)17(19)20-4/h5-9H,10-11H2,1-4H3
InChIKeyZHHOSUNHBRCPNR-UHFFFAOYSA-N
XLogP3.32
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-methyl-5-[[methyl-[(2-methylphenyl)methyl]amino]methyl]furan-3-carboxylate
CID 78789914
methyl 5-[[(2-methoxyphenyl)methyl-methylamino]methyl]-2-methylfuran-3-carboxylate
CID 78789892
methyl 2-methyl-5-[[methyl-[2-(4-methylphenyl)sulfanylacetyl]amino]methyl]furan-3-carboxylate
CID 34482863
methyl 5-[[(5-chloro-2-methoxyphenyl)methyl-methylamino]methyl]-2-methylfuran-3-carboxylate
CID 35115828
methyl 5-[[2-hydroxypropyl(propan-2-yl)amino]methyl]-2-methylfuran-3-carboxylate
CID 111107898
N-[[2-methyl-5-[[methyl-[(4-methylphenyl)methyl]amino]methyl]furan-3-yl]methyl]ethanamine
CID 62419219
methyl 5-[[cyclohexyl(methyl)amino]methyl]-2-methylfuran-3-carboxylate
CID 39903877
methyl 5-[[[2-(4-acetamidophenyl)acetyl]-methylamino]methyl]-2-methylfuran-3-carboxylate
CID 34483785
methyl 5-[[[2-(4-methoxyanilino)-2-oxoethyl]-methylamino]methyl]-2-methylfuran-3-carboxylate
CID 9222565
methyl 5-[[(2,5-dimethylfuran-3-carbonyl)-methylamino]methyl]-2-methylfuran-3-carboxylate
CID 34484533
methyl 5-[[(2-hydroxy-3-propan-2-yloxypropyl)-methylamino]methyl]-2-methylfuran-3-carboxylate
CID 78827719
4-[[[(4-methoxycarbonyl-5-methylfuran-2-yl)methyl-methylcarbamoyl]amino]methyl]benzoic acid
CID 122019842

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-5-[[methyl-[(4-methylphenyl)methyl]amino]methyl]furan-3-carboxylate?
The IUPAC name of methyl 2-methyl-5-[[methyl-[(4-methylphenyl)methyl]amino]methyl]furan-3-carboxylate (CID 78790048) is methyl 2-methyl-5-[[methyl-[(4-methylphenyl)methyl]amino]methyl]furan-3-carboxylate.
What is the SMILES notation for methyl 2-methyl-5-[[methyl-[(4-methylphenyl)methyl]amino]methyl]furan-3-carboxylate?
The canonical SMILES for methyl 2-methyl-5-[[methyl-[(4-methylphenyl)methyl]amino]methyl]furan-3-carboxylate is COC(=O)c1cc(CN(C)Cc2ccc(C)cc2)oc1C.
What is the InChIKey of methyl 2-methyl-5-[[methyl-[(4-methylphenyl)methyl]amino]methyl]furan-3-carboxylate?
The InChIKey is ZHHOSUNHBRCPNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3/c1-12-5-7-14(8-6-12)10-18(3)11-15-9-16(13(2)21-15)17(19)20-4/h5-9H,10-11H2,1-4H3.
What are the key properties of methyl 2-methyl-5-[[methyl-[(4-methylphenyl)methyl]amino]methyl]furan-3-carboxylate?
methyl 2-methyl-5-[[methyl-[(4-methylphenyl)methyl]amino]methyl]furan-3-carboxylate has a molecular weight of 287.36 g/mol, XLogP of 3.32, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-5-[[methyl-[(4-methylphenyl)methyl]amino]methyl]furan-3-carboxylate is sourced from PubChem (CID 78790048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).