4-(4-ethylphenyl)-N-(furan-2-ylmethyl)-N-methyl-4-oxobutanamide

C18H21NO3 — CID 112761055

IUPAC4-(4-ethylphenyl)-N-(furan-2-ylmethyl)-N-methyl-4-oxobutanamide
SMILESCCc1ccc(C(=O)CCC(=O)N(C)Cc2ccco2)cc1
InChIInChI=1S/C18H21NO3/c1-3-14-6-8-15(9-7-14)17(20)10-11-18(21)19(2)13-16-5-4-12-22-16/h4-9,12H,3,10-11,13H2,1-2H3
InChIKeyKAZDYSLAUUKFTJ-UHFFFAOYSA-N
MW299.37 g/mol
LogP3.46
Rot. Bonds7

About 4-(4-ethylphenyl)-N-(furan-2-ylmethyl)-N-methyl-4-oxobutanamide

4-(4-ethylphenyl)-N-(furan-2-ylmethyl)-N-methyl-4-oxobutanamide (PubChem CID 112761055) has the molecular formula C18H21NO3 and a molecular weight of 299.37 g/mol. Its IUPAC name is 4-(4-ethylphenyl)-N-(furan-2-ylmethyl)-N-methyl-4-oxobutanamide.

Molecular Properties

Compound Name4-(4-ethylphenyl)-N-(furan-2-ylmethyl)-N-methyl-4-oxobutanamide
PubChem CID112761055
Molecular FormulaC18H21NO3
Molecular Weight299.37 g/mol
Exact Mass299.15
IUPAC Name4-(4-ethylphenyl)-N-(furan-2-ylmethyl)-N-methyl-4-oxobutanamide
SMILESCCc1ccc(C(=O)CCC(=O)N(C)Cc2ccco2)cc1
InChIInChI=1S/C18H21NO3/c1-3-14-6-8-15(9-7-14)17(20)10-11-18(21)19(2)13-16-5-4-12-22-16/h4-9,12H,3,10-11,13H2,1-2H3
InChIKeyKAZDYSLAUUKFTJ-UHFFFAOYSA-N
XLogP3.46
TPSA50.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[ethyl(furan-2-ylmethyl)amino]-1-(4-ethylphenyl)ethanone
CID 62036997
4-(4-ethylphenyl)-N-(furan-2-ylmethyl)-4-oxobutanamide
CID 30797918
5-bromo-N-(furan-2-ylmethyl)-N-methylpentanamide
CID 107908125
4-amino-N-(furan-2-ylmethyl)-N-methylpentanamide;hydrochloride
CID 120566075
1-(4-chlorophenyl)-3-[furan-2-ylmethyl(methyl)amino]propan-1-one
CID 62619027
N-benzyl-4-(furan-2-yl)-N-methyl-4-oxobutanamide
CID 110389834
ethyl 4-[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethoxy]benzoate
CID 78765345
N-(furan-2-ylmethyl)-N-methyl-2-(methylamino)acetamide
CID 43396056
N-(furan-2-ylmethyl)-N,3-dimethylbutanamide
CID 58845598
N-[(4-chlorophenyl)methyl]-3-(furan-2-yl)-N-methylpropanamide
CID 78768756
N-[(4-ethoxyphenyl)methyl]-3-(furan-2-yl)-N-methylpropanamide
CID 78779679
3-(3-aminophenyl)-N-(furan-2-ylmethyl)-N-methylpropanamide
CID 80704733

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethylphenyl)-N-(furan-2-ylmethyl)-N-methyl-4-oxobutanamide?
The IUPAC name of 4-(4-ethylphenyl)-N-(furan-2-ylmethyl)-N-methyl-4-oxobutanamide (CID 112761055) is 4-(4-ethylphenyl)-N-(furan-2-ylmethyl)-N-methyl-4-oxobutanamide.
What is the SMILES notation for 4-(4-ethylphenyl)-N-(furan-2-ylmethyl)-N-methyl-4-oxobutanamide?
The canonical SMILES for 4-(4-ethylphenyl)-N-(furan-2-ylmethyl)-N-methyl-4-oxobutanamide is CCc1ccc(C(=O)CCC(=O)N(C)Cc2ccco2)cc1.
What is the InChIKey of 4-(4-ethylphenyl)-N-(furan-2-ylmethyl)-N-methyl-4-oxobutanamide?
The InChIKey is KAZDYSLAUUKFTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO3/c1-3-14-6-8-15(9-7-14)17(20)10-11-18(21)19(2)13-16-5-4-12-22-16/h4-9,12H,3,10-11,13H2,1-2H3.
What are the key properties of 4-(4-ethylphenyl)-N-(furan-2-ylmethyl)-N-methyl-4-oxobutanamide?
4-(4-ethylphenyl)-N-(furan-2-ylmethyl)-N-methyl-4-oxobutanamide has a molecular weight of 299.37 g/mol, XLogP of 3.46, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethylphenyl)-N-(furan-2-ylmethyl)-N-methyl-4-oxobutanamide is sourced from PubChem (CID 112761055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).