1-methoxy-3-[methyl-[(5-methylfuran-2-yl)methyl]amino]propan-2-one

C11H17NO3 — CID 107507272

IUPAC1-methoxy-3-[methyl-[(5-methylfuran-2-yl)methyl]amino]propan-2-one
SMILESCOCC(=O)CN(C)Cc1ccc(C)o1
InChIInChI=1S/C11H17NO3/c1-9-4-5-11(15-9)7-12(2)6-10(13)8-14-3/h4-5H,6-8H2,1-3H3
InChIKeyATIHZHYPISHJKC-UHFFFAOYSA-N
MW211.26 g/mol
LogP1.24
Rot. Bonds6

About 1-methoxy-3-[methyl-[(5-methylfuran-2-yl)methyl]amino]propan-2-one

1-methoxy-3-[methyl-[(5-methylfuran-2-yl)methyl]amino]propan-2-one (PubChem CID 107507272) has the molecular formula C11H17NO3 and a molecular weight of 211.26 g/mol. Its IUPAC name is 1-methoxy-3-[methyl-[(5-methylfuran-2-yl)methyl]amino]propan-2-one.

Molecular Properties

Compound Name1-methoxy-3-[methyl-[(5-methylfuran-2-yl)methyl]amino]propan-2-one
PubChem CID107507272
Molecular FormulaC11H17NO3
Molecular Weight211.26 g/mol
Exact Mass211.12
IUPAC Name1-methoxy-3-[methyl-[(5-methylfuran-2-yl)methyl]amino]propan-2-one
SMILESCOCC(=O)CN(C)Cc1ccc(C)o1
InChIInChI=1S/C11H17NO3/c1-9-4-5-11(15-9)7-12(2)6-10(13)8-14-3/h4-5H,6-8H2,1-3H3
InChIKeyATIHZHYPISHJKC-UHFFFAOYSA-N
XLogP1.24
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-methoxy-3-[methyl-[(5-methylfuran-2-yl)methyl]amino]propan-2-one 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 1-methoxy-3-[methyl-[(5-methylfuran-2-yl)methyl]amino]propan-2-one?
The IUPAC name of 1-methoxy-3-[methyl-[(5-methylfuran-2-yl)methyl]amino]propan-2-one (CID 107507272) is 1-methoxy-3-[methyl-[(5-methylfuran-2-yl)methyl]amino]propan-2-one.
What is the SMILES notation for 1-methoxy-3-[methyl-[(5-methylfuran-2-yl)methyl]amino]propan-2-one?
The canonical SMILES for 1-methoxy-3-[methyl-[(5-methylfuran-2-yl)methyl]amino]propan-2-one is COCC(=O)CN(C)Cc1ccc(C)o1.
What is the InChIKey of 1-methoxy-3-[methyl-[(5-methylfuran-2-yl)methyl]amino]propan-2-one?
The InChIKey is ATIHZHYPISHJKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3/c1-9-4-5-11(15-9)7-12(2)6-10(13)8-14-3/h4-5H,6-8H2,1-3H3.
What are the key properties of 1-methoxy-3-[methyl-[(5-methylfuran-2-yl)methyl]amino]propan-2-one?
1-methoxy-3-[methyl-[(5-methylfuran-2-yl)methyl]amino]propan-2-one has a molecular weight of 211.26 g/mol, XLogP of 1.24, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-3-[methyl-[(5-methylfuran-2-yl)methyl]amino]propan-2-one is sourced from PubChem (CID 107507272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).