[2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate

C18H21NO5 — CID 7560571

IUPAC[2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate
SMILESCOc1ccccc1CN(C)C(=O)COC(=O)c1cc(C)oc1C
InChIInChI=1S/C18H21NO5/c1-12-9-15(13(2)24-12)18(21)23-11-17(20)19(3)10-14-7-5-6-8-16(14)22-4/h5-9H,10-11H2,1-4H3
InChIKeyGSJRJGLIGCYYBU-UHFFFAOYSA-N
MW331.37 g/mol
LogP2.72
Rot. Bonds6

About [2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate

[2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate (PubChem CID 7560571) has the molecular formula C18H21NO5 and a molecular weight of 331.37 g/mol. Its IUPAC name is [2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate.

Molecular Properties

Compound Name[2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate
PubChem CID7560571
Molecular FormulaC18H21NO5
Molecular Weight331.37 g/mol
Exact Mass331.14
IUPAC Name[2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate
SMILESCOc1ccccc1CN(C)C(=O)COC(=O)c1cc(C)oc1C
InChIInChI=1S/C18H21NO5/c1-12-9-15(13(2)24-12)18(21)23-11-17(20)19(3)10-14-7-5-6-8-16(14)22-4/h5-9H,10-11H2,1-4H3
InChIKeyGSJRJGLIGCYYBU-UHFFFAOYSA-N
XLogP2.72
TPSA68.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 2,5-dimethylfuran-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

Frequently Asked Questions

What is the IUPAC name of [2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate?
The IUPAC name of [2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate (CID 7560571) is [2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate.
What is the SMILES notation for [2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate?
The canonical SMILES for [2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate is COc1ccccc1CN(C)C(=O)COC(=O)c1cc(C)oc1C.
What is the InChIKey of [2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate?
The InChIKey is GSJRJGLIGCYYBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO5/c1-12-9-15(13(2)24-12)18(21)23-11-17(20)19(3)10-14-7-5-6-8-16(14)22-4/h5-9H,10-11H2,1-4H3.
What are the key properties of [2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate?
[2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate has a molecular weight of 331.37 g/mol, XLogP of 2.72, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate is sourced from PubChem (CID 7560571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).