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

C17H21NO2 — CID 46232325

IUPAC3-[benzyl(ethyl)amino]-1-(5-methylfuran-2-yl)propan-1-one
SMILESCCN(CCC(=O)c1ccc(C)o1)Cc1ccccc1
InChIInChI=1S/C17H21NO2/c1-3-18(13-15-7-5-4-6-8-15)12-11-16(19)17-10-9-14(2)20-17/h4-10H,3,11-13H2,1-2H3
InChIKeyJABDHOIYEMCZCS-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.68
Rot. Bonds7

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

3-[benzyl(ethyl)amino]-1-(5-methylfuran-2-yl)propan-1-one (PubChem CID 46232325) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is 3-[benzyl(ethyl)amino]-1-(5-methylfuran-2-yl)propan-1-one.

Molecular Properties

Compound Name3-[benzyl(ethyl)amino]-1-(5-methylfuran-2-yl)propan-1-one
PubChem CID46232325
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC Name3-[benzyl(ethyl)amino]-1-(5-methylfuran-2-yl)propan-1-one
SMILESCCN(CCC(=O)c1ccc(C)o1)Cc1ccccc1
InChIInChI=1S/C17H21NO2/c1-3-18(13-15-7-5-4-6-8-15)12-11-16(19)17-10-9-14(2)20-17/h4-10H,3,11-13H2,1-2H3
InChIKeyJABDHOIYEMCZCS-UHFFFAOYSA-N
XLogP3.68
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[benzyl(ethyl)amino]-1-(5-methylfuran-2-yl)propan-1-one?
The IUPAC name of 3-[benzyl(ethyl)amino]-1-(5-methylfuran-2-yl)propan-1-one (CID 46232325) is 3-[benzyl(ethyl)amino]-1-(5-methylfuran-2-yl)propan-1-one.
What is the SMILES notation for 3-[benzyl(ethyl)amino]-1-(5-methylfuran-2-yl)propan-1-one?
The canonical SMILES for 3-[benzyl(ethyl)amino]-1-(5-methylfuran-2-yl)propan-1-one is CCN(CCC(=O)c1ccc(C)o1)Cc1ccccc1.
What is the InChIKey of 3-[benzyl(ethyl)amino]-1-(5-methylfuran-2-yl)propan-1-one?
The InChIKey is JABDHOIYEMCZCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2/c1-3-18(13-15-7-5-4-6-8-15)12-11-16(19)17-10-9-14(2)20-17/h4-10H,3,11-13H2,1-2H3.
What are the key properties of 3-[benzyl(ethyl)amino]-1-(5-methylfuran-2-yl)propan-1-one?
3-[benzyl(ethyl)amino]-1-(5-methylfuran-2-yl)propan-1-one has a molecular weight of 271.36 g/mol, XLogP of 3.68, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[benzyl(ethyl)amino]-1-(5-methylfuran-2-yl)propan-1-one is sourced from PubChem (CID 46232325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).