3-[ethyl(furan-2-ylmethyl)amino]-1-(4-methylphenyl)propan-1-one

C17H21NO2 — CID 62613649

IUPAC3-[ethyl(furan-2-ylmethyl)amino]-1-(4-methylphenyl)propan-1-one
SMILESCCN(CCC(=O)c1ccc(C)cc1)Cc1ccco1
InChIInChI=1S/C17H21NO2/c1-3-18(13-16-5-4-12-20-16)11-10-17(19)15-8-6-14(2)7-9-15/h4-9,12H,3,10-11,13H2,1-2H3
InChIKeyBAESMBRCOIIVDL-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.68
Rot. Bonds7

About 3-[ethyl(furan-2-ylmethyl)amino]-1-(4-methylphenyl)propan-1-one

3-[ethyl(furan-2-ylmethyl)amino]-1-(4-methylphenyl)propan-1-one (PubChem CID 62613649) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is 3-[ethyl(furan-2-ylmethyl)amino]-1-(4-methylphenyl)propan-1-one.

Molecular Properties

Compound Name3-[ethyl(furan-2-ylmethyl)amino]-1-(4-methylphenyl)propan-1-one
PubChem CID62613649
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC Name3-[ethyl(furan-2-ylmethyl)amino]-1-(4-methylphenyl)propan-1-one
SMILESCCN(CCC(=O)c1ccc(C)cc1)Cc1ccco1
InChIInChI=1S/C17H21NO2/c1-3-18(13-16-5-4-12-20-16)11-10-17(19)15-8-6-14(2)7-9-15/h4-9,12H,3,10-11,13H2,1-2H3
InChIKeyBAESMBRCOIIVDL-UHFFFAOYSA-N
XLogP3.68
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[ethyl(furan-2-ylmethyl)amino]-1-phenylpropan-1-one
CID 55094929
2-[ethyl(furan-2-ylmethyl)amino]-1-phenylethanone
CID 62037006
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
2-[ethyl(furan-2-ylmethyl)amino]-1-(4-propylphenyl)ethanone
CID 62037203
1-[ethyl(furan-2-ylmethyl)amino]-3-methylbutan-2-one
CID 79395471
4-[ethyl(furan-2-ylmethyl)amino]-2,2-dimethylbutanoic acid
CID 65248066
2-[cyclopropyl(furan-2-ylmethyl)amino]-1-(4-methylphenyl)ethanone
CID 62030869
N-(3-amino-3-sulfanylidenepropyl)-3-[ethyl(furan-2-ylmethyl)amino]-N-methylpropanamide
CID 61423754
3-(dibenzylamino)-1-(4-methylphenyl)propan-1-one;hydrochloride
CID 3064601
4-[furan-2-ylmethyl(methyl)amino]-1-phenylbutan-1-one
CID 60695002
N-(furan-2-ylmethyl)-N-(4-methylphenyl)butanamide
CID 60528113

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl(furan-2-ylmethyl)amino]-1-(4-methylphenyl)propan-1-one?
The IUPAC name of 3-[ethyl(furan-2-ylmethyl)amino]-1-(4-methylphenyl)propan-1-one (CID 62613649) is 3-[ethyl(furan-2-ylmethyl)amino]-1-(4-methylphenyl)propan-1-one.
What is the SMILES notation for 3-[ethyl(furan-2-ylmethyl)amino]-1-(4-methylphenyl)propan-1-one?
The canonical SMILES for 3-[ethyl(furan-2-ylmethyl)amino]-1-(4-methylphenyl)propan-1-one is CCN(CCC(=O)c1ccc(C)cc1)Cc1ccco1.
What is the InChIKey of 3-[ethyl(furan-2-ylmethyl)amino]-1-(4-methylphenyl)propan-1-one?
The InChIKey is BAESMBRCOIIVDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2/c1-3-18(13-16-5-4-12-20-16)11-10-17(19)15-8-6-14(2)7-9-15/h4-9,12H,3,10-11,13H2,1-2H3.
What are the key properties of 3-[ethyl(furan-2-ylmethyl)amino]-1-(4-methylphenyl)propan-1-one?
3-[ethyl(furan-2-ylmethyl)amino]-1-(4-methylphenyl)propan-1-one has a molecular weight of 271.36 g/mol, XLogP of 3.68, 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-(4-methylphenyl)propan-1-one is sourced from PubChem (CID 62613649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).