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

C16H19NO2 — CID 46232324

IUPAC3-[benzyl(methyl)amino]-1-(5-methylfuran-2-yl)propan-1-one
SMILESCc1ccc(C(=O)CCN(C)Cc2ccccc2)o1
InChIInChI=1S/C16H19NO2/c1-13-8-9-16(19-13)15(18)10-11-17(2)12-14-6-4-3-5-7-14/h3-9H,10-12H2,1-2H3
InChIKeyPYOMQXRANDCTLI-UHFFFAOYSA-N
MW257.33 g/mol
LogP3.29
Rot. Bonds6

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

3-[benzyl(methyl)amino]-1-(5-methylfuran-2-yl)propan-1-one (PubChem CID 46232324) has the molecular formula C16H19NO2 and a molecular weight of 257.33 g/mol. Its IUPAC name is 3-[benzyl(methyl)amino]-1-(5-methylfuran-2-yl)propan-1-one.

Molecular Properties

Compound Name3-[benzyl(methyl)amino]-1-(5-methylfuran-2-yl)propan-1-one
PubChem CID46232324
Molecular FormulaC16H19NO2
Molecular Weight257.33 g/mol
Exact Mass257.14
IUPAC Name3-[benzyl(methyl)amino]-1-(5-methylfuran-2-yl)propan-1-one
SMILESCc1ccc(C(=O)CCN(C)Cc2ccccc2)o1
InChIInChI=1S/C16H19NO2/c1-13-8-9-16(19-13)15(18)10-11-17(2)12-14-6-4-3-5-7-14/h3-9H,10-12H2,1-2H3
InChIKeyPYOMQXRANDCTLI-UHFFFAOYSA-N
XLogP3.29
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[benzyl(methyl)amino]-1-(5-methylfuran-2-yl)propan-1-one?
The IUPAC name of 3-[benzyl(methyl)amino]-1-(5-methylfuran-2-yl)propan-1-one (CID 46232324) is 3-[benzyl(methyl)amino]-1-(5-methylfuran-2-yl)propan-1-one.
What is the SMILES notation for 3-[benzyl(methyl)amino]-1-(5-methylfuran-2-yl)propan-1-one?
The canonical SMILES for 3-[benzyl(methyl)amino]-1-(5-methylfuran-2-yl)propan-1-one is Cc1ccc(C(=O)CCN(C)Cc2ccccc2)o1.
What is the InChIKey of 3-[benzyl(methyl)amino]-1-(5-methylfuran-2-yl)propan-1-one?
The InChIKey is PYOMQXRANDCTLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2/c1-13-8-9-16(19-13)15(18)10-11-17(2)12-14-6-4-3-5-7-14/h3-9H,10-12H2,1-2H3.
What are the key properties of 3-[benzyl(methyl)amino]-1-(5-methylfuran-2-yl)propan-1-one?
3-[benzyl(methyl)amino]-1-(5-methylfuran-2-yl)propan-1-one has a molecular weight of 257.33 g/mol, XLogP of 3.29, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[benzyl(methyl)amino]-1-(5-methylfuran-2-yl)propan-1-one is sourced from PubChem (CID 46232324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).