N-(3-acetylphenyl)-2,5-dimethylfuran-3-carboxamide

C15H15NO3 — CID 4057606

IUPACN-(3-acetylphenyl)-2,5-dimethylfuran-3-carboxamide
SMILESCC(=O)c1cccc(NC(=O)c2cc(C)oc2C)c1
InChIInChI=1S/C15H15NO3/c1-9-7-14(11(3)19-9)15(18)16-13-6-4-5-12(8-13)10(2)17/h4-8H,1-3H3,(H,16,18)
InChIKeyIBOSLTAVAUCLKC-UHFFFAOYSA-N
MW257.29 g/mol
LogP3.35
Rot. Bonds3

About N-(3-acetylphenyl)-2,5-dimethylfuran-3-carboxamide

N-(3-acetylphenyl)-2,5-dimethylfuran-3-carboxamide (PubChem CID 4057606) has the molecular formula C15H15NO3 and a molecular weight of 257.29 g/mol. Its IUPAC name is N-(3-acetylphenyl)-2,5-dimethylfuran-3-carboxamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-2,5-dimethylfuran-3-carboxamide
PubChem CID4057606
Molecular FormulaC15H15NO3
Molecular Weight257.29 g/mol
Exact Mass257.11
IUPAC NameN-(3-acetylphenyl)-2,5-dimethylfuran-3-carboxamide
SMILESCC(=O)c1cccc(NC(=O)c2cc(C)oc2C)c1
InChIInChI=1S/C15H15NO3/c1-9-7-14(11(3)19-9)15(18)16-13-6-4-5-12(8-13)10(2)17/h4-8H,1-3H3,(H,16,18)
InChIKeyIBOSLTAVAUCLKC-UHFFFAOYSA-N
XLogP3.35
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[[(2,5-dimethylfuran-3-carbonyl)amino]carbamoyl]phenyl]acetamide
CID 7808968
N-[3-[1-[2-(2,5-dimethylfuran-3-carbonyl)hydrazinyl]ethenyl]phenyl]acetamide
CID 2594236
N-(3-acetylphenyl)-2-methylfuran-3-carboxamide
CID 896770
methyl 3-[2-[3-[(2,5-dimethylfuran-3-carbonyl)amino]phenyl]ethynyl]benzoate
CID 38088094
2,5-dimethyl-N-[3-(pentanoylamino)phenyl]furan-3-carboxamide
CID 12040666
N-(3-acetylphenyl)-5-methylfuran-3-carboxamide
CID 114820827
1-[3-[(2,5-dimethylfuran-3-carbonyl)amino]benzoyl]piperidine-2-carboxylic acid
CID 119243639
2,5-dimethyl-N-[3-(propylaminomethyl)phenyl]furan-3-carboxamide
CID 106910635
N-[3-(2-aminoethoxy)phenyl]-2,5-dimethylfuran-3-carboxamide
CID 43175539
N-(3-acetylphenyl)-3,5-dimethylbenzamide
CID 969392
N-(3-acetylphenyl)-2-methylpyridine-3-carboxamide
CID 78950839
2,5-dimethyl-N-(2-phenylpyrimidin-5-yl)furan-3-carboxamide
CID 134009194

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-2,5-dimethylfuran-3-carboxamide?
The IUPAC name of N-(3-acetylphenyl)-2,5-dimethylfuran-3-carboxamide (CID 4057606) is N-(3-acetylphenyl)-2,5-dimethylfuran-3-carboxamide.
What is the SMILES notation for N-(3-acetylphenyl)-2,5-dimethylfuran-3-carboxamide?
The canonical SMILES for N-(3-acetylphenyl)-2,5-dimethylfuran-3-carboxamide is CC(=O)c1cccc(NC(=O)c2cc(C)oc2C)c1.
What is the InChIKey of N-(3-acetylphenyl)-2,5-dimethylfuran-3-carboxamide?
The InChIKey is IBOSLTAVAUCLKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO3/c1-9-7-14(11(3)19-9)15(18)16-13-6-4-5-12(8-13)10(2)17/h4-8H,1-3H3,(H,16,18).
What are the key properties of N-(3-acetylphenyl)-2,5-dimethylfuran-3-carboxamide?
N-(3-acetylphenyl)-2,5-dimethylfuran-3-carboxamide has a molecular weight of 257.29 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-2,5-dimethylfuran-3-carboxamide is sourced from PubChem (CID 4057606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).