2-[ethyl(furan-2-ylmethyl)amino]-1-(4-ethylphenyl)ethanone

C17H21NO2 — CID 62036997

IUPAC2-[ethyl(furan-2-ylmethyl)amino]-1-(4-ethylphenyl)ethanone
SMILESCCc1ccc(C(=O)CN(CC)Cc2ccco2)cc1
InChIInChI=1S/C17H21NO2/c1-3-14-7-9-15(10-8-14)17(19)13-18(4-2)12-16-6-5-11-20-16/h5-11H,3-4,12-13H2,1-2H3
InChIKeyIQHMSJOERUYPQH-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.55
Rot. Bonds7

About 2-[ethyl(furan-2-ylmethyl)amino]-1-(4-ethylphenyl)ethanone

2-[ethyl(furan-2-ylmethyl)amino]-1-(4-ethylphenyl)ethanone (PubChem CID 62036997) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is 2-[ethyl(furan-2-ylmethyl)amino]-1-(4-ethylphenyl)ethanone.

Molecular Properties

Compound Name2-[ethyl(furan-2-ylmethyl)amino]-1-(4-ethylphenyl)ethanone
PubChem CID62036997
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC Name2-[ethyl(furan-2-ylmethyl)amino]-1-(4-ethylphenyl)ethanone
SMILESCCc1ccc(C(=O)CN(CC)Cc2ccco2)cc1
InChIInChI=1S/C17H21NO2/c1-3-14-7-9-15(10-8-14)17(19)13-18(4-2)12-16-6-5-11-20-16/h5-11H,3-4,12-13H2,1-2H3
InChIKeyIQHMSJOERUYPQH-UHFFFAOYSA-N
XLogP3.55
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 ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[ethyl(furan-2-ylmethyl)amino]-1-(4-propylphenyl)ethanone
CID 62037203
2-[ethyl(furan-2-ylmethyl)amino]-1-phenylethanone
CID 62037006
2-[ethyl(furan-2-ylmethyl)amino]-1-(3-fluorophenyl)ethanone
CID 62037198
4-(4-ethylphenyl)-N-(furan-2-ylmethyl)-N-methyl-4-oxobutanamide
CID 112761055
1-(3-bromo-4-methoxyphenyl)-2-[ethyl(furan-2-ylmethyl)amino]ethanone
CID 62036819
3-[ethyl(furan-2-ylmethyl)amino]-1-(4-methylphenyl)propan-1-one
CID 62613649
1-[ethyl(furan-2-ylmethyl)amino]-3-methylbutan-2-one
CID 79395471
1-[ethyl(furan-2-ylmethyl)amino]-3-phenylpropan-2-one
CID 62037011
3-[ethyl(furan-2-ylmethyl)amino]-1-phenylpropan-1-one
CID 55094929
2-[ethyl(furan-2-ylmethyl)amino]-1-(2-methoxyphenyl)ethanone
CID 62037206
4-(4-ethylphenyl)-N-(furan-2-ylmethyl)-4-oxobutanamide
CID 30797918
1-(2,5-dibromothiophen-3-yl)-2-[ethyl(furan-2-ylmethyl)amino]ethanone
CID 62037184

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(furan-2-ylmethyl)amino]-1-(4-ethylphenyl)ethanone?
The IUPAC name of 2-[ethyl(furan-2-ylmethyl)amino]-1-(4-ethylphenyl)ethanone (CID 62036997) is 2-[ethyl(furan-2-ylmethyl)amino]-1-(4-ethylphenyl)ethanone.
What is the SMILES notation for 2-[ethyl(furan-2-ylmethyl)amino]-1-(4-ethylphenyl)ethanone?
The canonical SMILES for 2-[ethyl(furan-2-ylmethyl)amino]-1-(4-ethylphenyl)ethanone is CCc1ccc(C(=O)CN(CC)Cc2ccco2)cc1.
What is the InChIKey of 2-[ethyl(furan-2-ylmethyl)amino]-1-(4-ethylphenyl)ethanone?
The InChIKey is IQHMSJOERUYPQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2/c1-3-14-7-9-15(10-8-14)17(19)13-18(4-2)12-16-6-5-11-20-16/h5-11H,3-4,12-13H2,1-2H3.
What are the key properties of 2-[ethyl(furan-2-ylmethyl)amino]-1-(4-ethylphenyl)ethanone?
2-[ethyl(furan-2-ylmethyl)amino]-1-(4-ethylphenyl)ethanone has a molecular weight of 271.36 g/mol, XLogP of 3.55, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(furan-2-ylmethyl)amino]-1-(4-ethylphenyl)ethanone is sourced from PubChem (CID 62036997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).