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

C18H23NO2 — CID 46232327

IUPAC3-[benzyl(propan-2-yl)amino]-1-(5-methylfuran-2-yl)propan-1-one
SMILESCc1ccc(C(=O)CCN(Cc2ccccc2)C(C)C)o1
InChIInChI=1S/C18H23NO2/c1-14(2)19(13-16-7-5-4-6-8-16)12-11-17(20)18-10-9-15(3)21-18/h4-10,14H,11-13H2,1-3H3
InChIKeyQTEDZDCDINFAPT-UHFFFAOYSA-N
MW285.39 g/mol
LogP4.07
Rot. Bonds7

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

3-[benzyl(propan-2-yl)amino]-1-(5-methylfuran-2-yl)propan-1-one (PubChem CID 46232327) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is 3-[benzyl(propan-2-yl)amino]-1-(5-methylfuran-2-yl)propan-1-one.

Molecular Properties

Compound Name3-[benzyl(propan-2-yl)amino]-1-(5-methylfuran-2-yl)propan-1-one
PubChem CID46232327
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Name3-[benzyl(propan-2-yl)amino]-1-(5-methylfuran-2-yl)propan-1-one
SMILESCc1ccc(C(=O)CCN(Cc2ccccc2)C(C)C)o1
InChIInChI=1S/C18H23NO2/c1-14(2)19(13-16-7-5-4-6-8-16)12-11-17(20)18-10-9-15(3)21-18/h4-10,14H,11-13H2,1-3H3
InChIKeyQTEDZDCDINFAPT-UHFFFAOYSA-N
XLogP4.07
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[benzyl(propan-2-yl)amino]-1-(5-methylfuran-2-yl)propan-1-one?
The IUPAC name of 3-[benzyl(propan-2-yl)amino]-1-(5-methylfuran-2-yl)propan-1-one (CID 46232327) is 3-[benzyl(propan-2-yl)amino]-1-(5-methylfuran-2-yl)propan-1-one.
What is the SMILES notation for 3-[benzyl(propan-2-yl)amino]-1-(5-methylfuran-2-yl)propan-1-one?
The canonical SMILES for 3-[benzyl(propan-2-yl)amino]-1-(5-methylfuran-2-yl)propan-1-one is Cc1ccc(C(=O)CCN(Cc2ccccc2)C(C)C)o1.
What is the InChIKey of 3-[benzyl(propan-2-yl)amino]-1-(5-methylfuran-2-yl)propan-1-one?
The InChIKey is QTEDZDCDINFAPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-14(2)19(13-16-7-5-4-6-8-16)12-11-17(20)18-10-9-15(3)21-18/h4-10,14H,11-13H2,1-3H3.
What are the key properties of 3-[benzyl(propan-2-yl)amino]-1-(5-methylfuran-2-yl)propan-1-one?
3-[benzyl(propan-2-yl)amino]-1-(5-methylfuran-2-yl)propan-1-one has a molecular weight of 285.39 g/mol, XLogP of 4.07, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[benzyl(propan-2-yl)amino]-1-(5-methylfuran-2-yl)propan-1-one is sourced from PubChem (CID 46232327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).