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

C16H19NO4 — CID 60649742

IUPACmethyl 5-[[(3-methoxyphenyl)methylamino]methyl]-2-methylfuran-3-carboxylate
SMILESCOC(=O)c1cc(CNCc2cccc(OC)c2)oc1C
InChIInChI=1S/C16H19NO4/c1-11-15(16(18)20-3)8-14(21-11)10-17-9-12-5-4-6-13(7-12)19-2/h4-8,17H,9-10H2,1-3H3
InChIKeyNFIOHIYGUHZNEB-UHFFFAOYSA-N
MW289.33 g/mol
LogP2.67
Rot. Bonds6

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

methyl 5-[[(3-methoxyphenyl)methylamino]methyl]-2-methylfuran-3-carboxylate (PubChem CID 60649742) has the molecular formula C16H19NO4 and a molecular weight of 289.33 g/mol. Its IUPAC name is methyl 5-[[(3-methoxyphenyl)methylamino]methyl]-2-methylfuran-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-[[(3-methoxyphenyl)methylamino]methyl]-2-methylfuran-3-carboxylate
PubChem CID60649742
Molecular FormulaC16H19NO4
Molecular Weight289.33 g/mol
Exact Mass289.13
IUPAC Namemethyl 5-[[(3-methoxyphenyl)methylamino]methyl]-2-methylfuran-3-carboxylate
SMILESCOC(=O)c1cc(CNCc2cccc(OC)c2)oc1C
InChIInChI=1S/C16H19NO4/c1-11-15(16(18)20-3)8-14(21-11)10-17-9-12-5-4-6-13(7-12)19-2/h4-8,17H,9-10H2,1-3H3
InChIKeyNFIOHIYGUHZNEB-UHFFFAOYSA-N
XLogP2.67
TPSA60.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 5-[[(3-methoxyphenyl)methylamino]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

Related Compounds

5-[[(3-methoxyphenyl)methylamino]methyl]-3-methylfuran-2-carboxylic acid
CID 103239896
methyl 5-[[3-(3-methoxyphenyl)propanoyl-methylamino]methyl]-2-methylfuran-3-carboxylate
CID 34485199
methyl 4-[[(3-methoxyphenyl)methylamino]methyl]benzoate
CID 60676710
N-[(3,5-dimethylphenyl)methyl]-1-(3-methoxyphenyl)methanamine
CID 54940038
methyl 2-methyl-5-[(2-pyridin-4-ylethylamino)methyl]furan-3-carboxylate
CID 60902691
methyl 5-[[2-(4-chlorophenyl)ethylamino]methyl]-2-methylfuran-3-carboxylate
CID 43219136
methyl 5-[[(4-methoxycarbonyl-5-methylfuran-2-yl)methylcarbamoylamino]methyl]-2-methylfuran-3-carboxylate
CID 51116970
(3-methoxyphenyl)methyl 2,5-dimethylfuran-3-carboxylate
CID 78789323
methyl 5-[[(2,5-difluorophenyl)methylamino]methyl]-2-methylfuran-3-carboxylate
CID 63794276
methyl 5-[[[3-(2-methoxyethoxy)benzoyl]amino]methyl]-2-methylfuran-3-carboxylate
CID 47069980
methyl 2-methyl-5-[[[3-[(3-methylphenyl)methoxy]benzoyl]amino]methyl]furan-3-carboxylate
CID 55612622
2-[(3-methoxyphenyl)methylamino]acetic acid
CID 13236084

Frequently Asked Questions

What is the IUPAC name of methyl 5-[[(3-methoxyphenyl)methylamino]methyl]-2-methylfuran-3-carboxylate?
The IUPAC name of methyl 5-[[(3-methoxyphenyl)methylamino]methyl]-2-methylfuran-3-carboxylate (CID 60649742) is methyl 5-[[(3-methoxyphenyl)methylamino]methyl]-2-methylfuran-3-carboxylate.
What is the SMILES notation for methyl 5-[[(3-methoxyphenyl)methylamino]methyl]-2-methylfuran-3-carboxylate?
The canonical SMILES for methyl 5-[[(3-methoxyphenyl)methylamino]methyl]-2-methylfuran-3-carboxylate is COC(=O)c1cc(CNCc2cccc(OC)c2)oc1C.
What is the InChIKey of methyl 5-[[(3-methoxyphenyl)methylamino]methyl]-2-methylfuran-3-carboxylate?
The InChIKey is NFIOHIYGUHZNEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO4/c1-11-15(16(18)20-3)8-14(21-11)10-17-9-12-5-4-6-13(7-12)19-2/h4-8,17H,9-10H2,1-3H3.
What are the key properties of methyl 5-[[(3-methoxyphenyl)methylamino]methyl]-2-methylfuran-3-carboxylate?
methyl 5-[[(3-methoxyphenyl)methylamino]methyl]-2-methylfuran-3-carboxylate has a molecular weight of 289.33 g/mol, XLogP of 2.67, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[[(3-methoxyphenyl)methylamino]methyl]-2-methylfuran-3-carboxylate is sourced from PubChem (CID 60649742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).