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

C19H25NO2 — CID 46232326

IUPAC3-[benzyl(tert-butyl)amino]-1-(5-methylfuran-2-yl)propan-1-one
SMILESCc1ccc(C(=O)CCN(Cc2ccccc2)C(C)(C)C)o1
InChIInChI=1S/C19H25NO2/c1-15-10-11-18(22-15)17(21)12-13-20(19(2,3)4)14-16-8-6-5-7-9-16/h5-11H,12-14H2,1-4H3
InChIKeyPAXCYTKJCMZHKK-UHFFFAOYSA-N
MW299.41 g/mol
LogP4.46
Rot. Bonds6

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

3-[benzyl(tert-butyl)amino]-1-(5-methylfuran-2-yl)propan-1-one (PubChem CID 46232326) has the molecular formula C19H25NO2 and a molecular weight of 299.41 g/mol. Its IUPAC name is 3-[benzyl(tert-butyl)amino]-1-(5-methylfuran-2-yl)propan-1-one.

Molecular Properties

Compound Name3-[benzyl(tert-butyl)amino]-1-(5-methylfuran-2-yl)propan-1-one
PubChem CID46232326
Molecular FormulaC19H25NO2
Molecular Weight299.41 g/mol
Exact Mass299.19
IUPAC Name3-[benzyl(tert-butyl)amino]-1-(5-methylfuran-2-yl)propan-1-one
SMILESCc1ccc(C(=O)CCN(Cc2ccccc2)C(C)(C)C)o1
InChIInChI=1S/C19H25NO2/c1-15-10-11-18(22-15)17(21)12-13-20(19(2,3)4)14-16-8-6-5-7-9-16/h5-11H,12-14H2,1-4H3
InChIKeyPAXCYTKJCMZHKK-UHFFFAOYSA-N
XLogP4.46
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.41
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-methylfuran-2-yl)-3-phenylpropan-1-one
CID 71336730
3-[benzyl(tert-butyl)amino]-1-(1-methylpyrrol-2-yl)propan-1-one
CID 70937906
3-[tert-butyl-[(5-methylfuran-2-yl)methyl]amino]propanoic acid
CID 60833994
1-(5-methylfuran-2-yl)-2-phenylethanone
CID 4610358
3-[tert-butyl-[(4-fluorophenyl)methyl]amino]propanoic acid
CID 54925531
1,5-bis(5-methylfuran-2-yl)pentane-1,5-dione;ethane
CID 144689486
3-chloro-1-(5-methylfuran-2-yl)propan-1-one
CID 116917885
3-[(4-acetamidophenyl)methyl-tert-butylamino]propanoic acid
CID 65058574
3-amino-3-methyl-1-(5-methylfuran-2-yl)butan-1-one
CID 116915783
3-[butyl(2-hydroxyethyl)amino]-1-(5-methylfuran-2-yl)propan-1-one
CID 46232321
1-(5-methylfuran-2-yl)undecan-1-one
CID 114968847
1-[4-[5-[[benzyl(tert-butyl)amino]methyl]furan-2-carbonyl]piperazin-1-yl]ethanone
CID 3987146

Frequently Asked Questions

What is the IUPAC name of 3-[benzyl(tert-butyl)amino]-1-(5-methylfuran-2-yl)propan-1-one?
The IUPAC name of 3-[benzyl(tert-butyl)amino]-1-(5-methylfuran-2-yl)propan-1-one (CID 46232326) is 3-[benzyl(tert-butyl)amino]-1-(5-methylfuran-2-yl)propan-1-one.
What is the SMILES notation for 3-[benzyl(tert-butyl)amino]-1-(5-methylfuran-2-yl)propan-1-one?
The canonical SMILES for 3-[benzyl(tert-butyl)amino]-1-(5-methylfuran-2-yl)propan-1-one is Cc1ccc(C(=O)CCN(Cc2ccccc2)C(C)(C)C)o1.
What is the InChIKey of 3-[benzyl(tert-butyl)amino]-1-(5-methylfuran-2-yl)propan-1-one?
The InChIKey is PAXCYTKJCMZHKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO2/c1-15-10-11-18(22-15)17(21)12-13-20(19(2,3)4)14-16-8-6-5-7-9-16/h5-11H,12-14H2,1-4H3.
What are the key properties of 3-[benzyl(tert-butyl)amino]-1-(5-methylfuran-2-yl)propan-1-one?
3-[benzyl(tert-butyl)amino]-1-(5-methylfuran-2-yl)propan-1-one has a molecular weight of 299.41 g/mol, XLogP of 4.46, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[benzyl(tert-butyl)amino]-1-(5-methylfuran-2-yl)propan-1-one is sourced from PubChem (CID 46232326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).