2-(2,4-dimethylphenyl)-N-(furan-2-ylmethyl)-2-oxoacetamide

C15H15NO3 — CID 82120685

IUPAC2-(2,4-dimethylphenyl)-N-(furan-2-ylmethyl)-2-oxoacetamide
SMILESCc1ccc(C(=O)C(=O)NCc2ccco2)c(C)c1
InChIInChI=1S/C15H15NO3/c1-10-5-6-13(11(2)8-10)14(17)15(18)16-9-12-4-3-7-19-12/h3-8H,9H2,1-2H3,(H,16,18)
InChIKeyZXAGGZYIPDXELG-UHFFFAOYSA-N
MW257.29 g/mol
LogP2.40
Rot. Bonds4

About 2-(2,4-dimethylphenyl)-N-(furan-2-ylmethyl)-2-oxoacetamide

2-(2,4-dimethylphenyl)-N-(furan-2-ylmethyl)-2-oxoacetamide (PubChem CID 82120685) has the molecular formula C15H15NO3 and a molecular weight of 257.29 g/mol. Its IUPAC name is 2-(2,4-dimethylphenyl)-N-(furan-2-ylmethyl)-2-oxoacetamide.

Molecular Properties

Compound Name2-(2,4-dimethylphenyl)-N-(furan-2-ylmethyl)-2-oxoacetamide
PubChem CID82120685
Molecular FormulaC15H15NO3
Molecular Weight257.29 g/mol
Exact Mass257.11
IUPAC Name2-(2,4-dimethylphenyl)-N-(furan-2-ylmethyl)-2-oxoacetamide
SMILESCc1ccc(C(=O)C(=O)NCc2ccco2)c(C)c1
InChIInChI=1S/C15H15NO3/c1-10-5-6-13(11(2)8-10)14(17)15(18)16-9-12-4-3-7-19-12/h3-8H,9H2,1-2H3,(H,16,18)
InChIKeyZXAGGZYIPDXELG-UHFFFAOYSA-N
XLogP2.40
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-[2-(furan-2-ylmethylcarbamoyl)phenyl]-2,4-dimethylbenzamide
CID 51180458
N'-(furan-2-ylmethyl)-N-[(4-methylphenyl)methyl]oxamide
CID 2188176
N-(furan-2-ylmethyl)-2,4,5-trimethylbenzamide
CID 95970655
N-(furan-2-ylmethyl)-3-methylbenzamide
CID 796307
(2S)-1-(2,4-dimethylbenzoyl)-N-(furan-2-ylmethyl)pyrrolidine-2-carboxamide
CID 95292121
N-(furan-2-ylmethyl)-2-(3-methylphenyl)acetamide
CID 6466784
N-(furan-2-ylmethyl)-2-(4-methoxyphenyl)-2-oxoacetamide
CID 94272659
1-(2,4-dimethylphenyl)-2-(furan-2-ylmethoxy)ethanone
CID 62029059
[(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 2,5-dimethylbenzoate
CID 8535095
3-(2,4-dimethylphenyl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]propanamide
CID 36939792
[2-(furan-2-ylmethylamino)-2-oxoethyl] 2-hydroxy-4-methylbenzoate
CID 2098575
1-(furan-2-ylmethyl)-3-[(4-methylphenyl)methyl]urea
CID 17399631

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylphenyl)-N-(furan-2-ylmethyl)-2-oxoacetamide?
The IUPAC name of 2-(2,4-dimethylphenyl)-N-(furan-2-ylmethyl)-2-oxoacetamide (CID 82120685) is 2-(2,4-dimethylphenyl)-N-(furan-2-ylmethyl)-2-oxoacetamide.
What is the SMILES notation for 2-(2,4-dimethylphenyl)-N-(furan-2-ylmethyl)-2-oxoacetamide?
The canonical SMILES for 2-(2,4-dimethylphenyl)-N-(furan-2-ylmethyl)-2-oxoacetamide is Cc1ccc(C(=O)C(=O)NCc2ccco2)c(C)c1.
What is the InChIKey of 2-(2,4-dimethylphenyl)-N-(furan-2-ylmethyl)-2-oxoacetamide?
The InChIKey is ZXAGGZYIPDXELG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO3/c1-10-5-6-13(11(2)8-10)14(17)15(18)16-9-12-4-3-7-19-12/h3-8H,9H2,1-2H3,(H,16,18).
What are the key properties of 2-(2,4-dimethylphenyl)-N-(furan-2-ylmethyl)-2-oxoacetamide?
2-(2,4-dimethylphenyl)-N-(furan-2-ylmethyl)-2-oxoacetamide has a molecular weight of 257.29 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylphenyl)-N-(furan-2-ylmethyl)-2-oxoacetamide is sourced from PubChem (CID 82120685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).