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

C16H19NO2 — CID 46231399

IUPAC3-[benzyl(ethyl)amino]-1-(furan-2-yl)propan-1-one
SMILESCCN(CCC(=O)c1ccco1)Cc1ccccc1
InChIInChI=1S/C16H19NO2/c1-2-17(13-14-7-4-3-5-8-14)11-10-15(18)16-9-6-12-19-16/h3-9,12H,2,10-11,13H2,1H3
InChIKeyLWTICGKSBGKGPM-UHFFFAOYSA-N
MW257.33 g/mol
LogP3.37
Rot. Bonds7

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

3-[benzyl(ethyl)amino]-1-(furan-2-yl)propan-1-one (PubChem CID 46231399) has the molecular formula C16H19NO2 and a molecular weight of 257.33 g/mol. Its IUPAC name is 3-[benzyl(ethyl)amino]-1-(furan-2-yl)propan-1-one.

Molecular Properties

Compound Name3-[benzyl(ethyl)amino]-1-(furan-2-yl)propan-1-one
PubChem CID46231399
Molecular FormulaC16H19NO2
Molecular Weight257.33 g/mol
Exact Mass257.14
IUPAC Name3-[benzyl(ethyl)amino]-1-(furan-2-yl)propan-1-one
SMILESCCN(CCC(=O)c1ccco1)Cc1ccccc1
InChIInChI=1S/C16H19NO2/c1-2-17(13-14-7-4-3-5-8-14)11-10-15(18)16-9-6-12-19-16/h3-9,12H,2,10-11,13H2,1H3
InChIKeyLWTICGKSBGKGPM-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

(+/-)-threo-N-(3-Methylfuran)methylphenidate
CID 52942853
N-[3-(furan-2-yl)-4-methylpentyl]-N-[(4-propan-2-yloxyphenyl)methyl]acetamide
CID 3603800
1-[2-(dimethylamino)ethyl]-5-(2-fluorophenyl)-4-(2-furoyl)-3-hydroxy-1,5-dihydro-2H-pyrrol-2-one
CID 2909905
3-[Butyl(2-hydroxyethyl)amino]-1-(furan-2-yl)propan-1-one
CID 46231395
3-[Benzyl(tert-butyl)amino]-1-(furan-2-yl)propan-1-one
CID 46231451
3-[Benzyl(propan-2-yl)amino]-1-(furan-2-yl)propan-1-one
CID 46231452
3-[Benzyl(propan-2-yl)amino]-1-(5-methylfuran-2-yl)propan-1-one
CID 46232327
N-ethyl-N-(furan-3-ylmethyl)-2-(4-methylphenoxy)acetamide
CID 67511822
5-(3-(allyloxy)phenyl)-1-(2-(diethylamino)ethyl)-4-(furan-2-carbonyl)-3-hydroxy-1H-pyrrol-2(5H)-one
CID 662081
1-[3-(Diethylamino)propyl]-4-(2-furylcarbonyl)-3-hydroxy-5-(4-prop-2-enyloxyph enyl)-3-pyrrolin-2-one
CID 662148
2-[Benzyl(methyl)amino]ethyl 2-furoate
CID 805821
4-(furan-2-ylcarbonyl)-3-hydroxy-1-(2-methoxyethyl)-5-(3-phenoxyphenyl)-1,5-dihydro-2H-pyrrol-2-one
CID 2918125

Frequently Asked Questions

What is the IUPAC name of 3-[benzyl(ethyl)amino]-1-(furan-2-yl)propan-1-one?
The IUPAC name of 3-[benzyl(ethyl)amino]-1-(furan-2-yl)propan-1-one (CID 46231399) is 3-[benzyl(ethyl)amino]-1-(furan-2-yl)propan-1-one.
What is the SMILES notation for 3-[benzyl(ethyl)amino]-1-(furan-2-yl)propan-1-one?
The canonical SMILES for 3-[benzyl(ethyl)amino]-1-(furan-2-yl)propan-1-one is CCN(CCC(=O)c1ccco1)Cc1ccccc1.
What is the InChIKey of 3-[benzyl(ethyl)amino]-1-(furan-2-yl)propan-1-one?
The InChIKey is LWTICGKSBGKGPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2/c1-2-17(13-14-7-4-3-5-8-14)11-10-15(18)16-9-6-12-19-16/h3-9,12H,2,10-11,13H2,1H3.
What are the key properties of 3-[benzyl(ethyl)amino]-1-(furan-2-yl)propan-1-one?
3-[benzyl(ethyl)amino]-1-(furan-2-yl)propan-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-[benzyl(ethyl)amino]-1-(furan-2-yl)propan-1-one is sourced from PubChem (CID 46231399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).