3-[ethyl(furan-2-ylmethyl)amino]-1-phenylpropan-1-one

C16H19NO2 — CID 55094929

IUPAC3-[ethyl(furan-2-ylmethyl)amino]-1-phenylpropan-1-one
SMILESCCN(CCC(=O)c1ccccc1)Cc1ccco1
InChIInChI=1S/C16H19NO2/c1-2-17(13-15-9-6-12-19-15)11-10-16(18)14-7-4-3-5-8-14/h3-9,12H,2,10-11,13H2,1H3
InChIKeyWPTVDVNQLULMNY-UHFFFAOYSA-N
MW257.33 g/mol
LogP3.37
Rot. Bonds7

About 3-[ethyl(furan-2-ylmethyl)amino]-1-phenylpropan-1-one

3-[ethyl(furan-2-ylmethyl)amino]-1-phenylpropan-1-one (PubChem CID 55094929) has the molecular formula C16H19NO2 and a molecular weight of 257.33 g/mol. Its IUPAC name is 3-[ethyl(furan-2-ylmethyl)amino]-1-phenylpropan-1-one.

Molecular Properties

Compound Name3-[ethyl(furan-2-ylmethyl)amino]-1-phenylpropan-1-one
PubChem CID55094929
Molecular FormulaC16H19NO2
Molecular Weight257.33 g/mol
Exact Mass257.14
IUPAC Name3-[ethyl(furan-2-ylmethyl)amino]-1-phenylpropan-1-one
SMILESCCN(CCC(=O)c1ccccc1)Cc1ccco1
InChIInChI=1S/C16H19NO2/c1-2-17(13-15-9-6-12-19-15)11-10-16(18)14-7-4-3-5-8-14/h3-9,12H,2,10-11,13H2,1H3
InChIKeyWPTVDVNQLULMNY-UHFFFAOYSA-N
XLogP3.37
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[ethyl(furan-2-ylmethyl)amino]-1-(4-methylphenyl)propan-1-one
CID 62613649
2-[ethyl(furan-2-ylmethyl)amino]-1-phenylethanone
CID 62037006
4-[furan-2-ylmethyl(methyl)amino]-1-phenylbutan-1-one
CID 60695002
3-[cyclopropyl(furan-2-ylmethyl)amino]-1-phenylpropan-1-one
CID 62612099
4-[ethyl(furan-2-ylmethyl)amino]-2,2-dimethylbutanoic acid
CID 65248066
2-[ethyl(furan-2-ylmethyl)amino]-1-(4-ethylphenyl)ethanone
CID 62036997
1-(4-chlorophenyl)-3-[furan-2-ylmethyl(methyl)amino]propan-1-one
CID 62619027
1-[ethyl(furan-2-ylmethyl)amino]-3-methylbutan-2-one
CID 79395471
1-[ethyl(furan-2-ylmethyl)amino]-3-phenylpropan-2-one
CID 62037011
2-[ethyl(furan-2-ylmethyl)amino]-1-(4-propylphenyl)ethanone
CID 62037203
N-(3-amino-3-sulfanylidenepropyl)-3-[ethyl(furan-2-ylmethyl)amino]-N-methylpropanamide
CID 61423754
2-[ethyl(furan-2-ylmethyl)amino]-1-(3-fluorophenyl)ethanone
CID 62037198

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl(furan-2-ylmethyl)amino]-1-phenylpropan-1-one?
The IUPAC name of 3-[ethyl(furan-2-ylmethyl)amino]-1-phenylpropan-1-one (CID 55094929) is 3-[ethyl(furan-2-ylmethyl)amino]-1-phenylpropan-1-one.
What is the SMILES notation for 3-[ethyl(furan-2-ylmethyl)amino]-1-phenylpropan-1-one?
The canonical SMILES for 3-[ethyl(furan-2-ylmethyl)amino]-1-phenylpropan-1-one is CCN(CCC(=O)c1ccccc1)Cc1ccco1.
What is the InChIKey of 3-[ethyl(furan-2-ylmethyl)amino]-1-phenylpropan-1-one?
The InChIKey is WPTVDVNQLULMNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2/c1-2-17(13-15-9-6-12-19-15)11-10-16(18)14-7-4-3-5-8-14/h3-9,12H,2,10-11,13H2,1H3.
What are the key properties of 3-[ethyl(furan-2-ylmethyl)amino]-1-phenylpropan-1-one?
3-[ethyl(furan-2-ylmethyl)amino]-1-phenylpropan-1-one has a molecular weight of 257.33 g/mol, XLogP of 3.37, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl(furan-2-ylmethyl)amino]-1-phenylpropan-1-one is sourced from PubChem (CID 55094929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).