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

C16H19NO2 — CID 62037011

IUPAC1-[ethyl(furan-2-ylmethyl)amino]-3-phenylpropan-2-one
SMILESCCN(CC(=O)Cc1ccccc1)Cc1ccco1
InChIInChI=1S/C16H19NO2/c1-2-17(13-16-9-6-10-19-16)12-15(18)11-14-7-4-3-5-8-14/h3-10H,2,11-13H2,1H3
InChIKeyAHTMXJBAOAWZGH-UHFFFAOYSA-N
MW257.33 g/mol
LogP2.91
Rot. Bonds7

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

1-[ethyl(furan-2-ylmethyl)amino]-3-phenylpropan-2-one (PubChem CID 62037011) has the molecular formula C16H19NO2 and a molecular weight of 257.33 g/mol. Its IUPAC name is 1-[ethyl(furan-2-ylmethyl)amino]-3-phenylpropan-2-one.

Molecular Properties

Compound Name1-[ethyl(furan-2-ylmethyl)amino]-3-phenylpropan-2-one
PubChem CID62037011
Molecular FormulaC16H19NO2
Molecular Weight257.33 g/mol
Exact Mass257.14
IUPAC Name1-[ethyl(furan-2-ylmethyl)amino]-3-phenylpropan-2-one
SMILESCCN(CC(=O)Cc1ccccc1)Cc1ccco1
InChIInChI=1S/C16H19NO2/c1-2-17(13-16-9-6-10-19-16)12-15(18)11-14-7-4-3-5-8-14/h3-10H,2,11-13H2,1H3
InChIKeyAHTMXJBAOAWZGH-UHFFFAOYSA-N
XLogP2.91
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 ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[ethyl(furan-2-ylmethyl)amino]-1-phenylethanone
CID 62037006
1-[ethyl(furan-2-ylmethyl)amino]-3-methylbutan-2-one
CID 79395471
2-[ethyl(furan-2-ylmethyl)amino]-1-(4-ethylphenyl)ethanone
CID 62036997
N-ethyl-2-[ethyl-(2-oxo-3-phenylpropyl)amino]acetamide
CID 62030498
3-[ethyl(furan-2-ylmethyl)amino]-1-phenylpropan-1-one
CID 55094929
2-[ethyl(furan-2-ylmethyl)amino]-1-(4-propylphenyl)ethanone
CID 62037203
N,N-bis(furan-2-ylmethyl)-1-phenylmethanamine
CID 10825735
2-[ethyl(furan-2-ylmethyl)amino]-1-(2-methoxyphenyl)ethanone
CID 62037206
2-[[ethyl(furan-2-ylmethyl)amino]methyl]-2-methylbutanoic acid
CID 55055367
1-[ethyl(2-methoxyethyl)amino]-3-phenylpropan-2-one
CID 54949080
4-[ethyl(furan-2-ylmethyl)amino]-2,2-dimethylbutanoic acid
CID 65248066
5-[[ethyl(furan-2-ylmethyl)amino]methyl]-1,2-oxazole-3-carboxylic acid
CID 61423513

Frequently Asked Questions

What is the IUPAC name of 1-[ethyl(furan-2-ylmethyl)amino]-3-phenylpropan-2-one?
The IUPAC name of 1-[ethyl(furan-2-ylmethyl)amino]-3-phenylpropan-2-one (CID 62037011) is 1-[ethyl(furan-2-ylmethyl)amino]-3-phenylpropan-2-one.
What is the SMILES notation for 1-[ethyl(furan-2-ylmethyl)amino]-3-phenylpropan-2-one?
The canonical SMILES for 1-[ethyl(furan-2-ylmethyl)amino]-3-phenylpropan-2-one is CCN(CC(=O)Cc1ccccc1)Cc1ccco1.
What is the InChIKey of 1-[ethyl(furan-2-ylmethyl)amino]-3-phenylpropan-2-one?
The InChIKey is AHTMXJBAOAWZGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2/c1-2-17(13-16-9-6-10-19-16)12-15(18)11-14-7-4-3-5-8-14/h3-10H,2,11-13H2,1H3.
What are the key properties of 1-[ethyl(furan-2-ylmethyl)amino]-3-phenylpropan-2-one?
1-[ethyl(furan-2-ylmethyl)amino]-3-phenylpropan-2-one has a molecular weight of 257.33 g/mol, XLogP of 2.91, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[ethyl(furan-2-ylmethyl)amino]-3-phenylpropan-2-one is sourced from PubChem (CID 62037011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).