4-methyl-2-(5-methylfuran-2-yl)-3-oxo-N-phenylhex-5-enamide

C18H19NO3 — CID 87839445

IUPAC4-methyl-2-(5-methylfuran-2-yl)-3-oxo-N-phenylhex-5-enamide
SMILESC=CC(C)C(=O)C(C(=O)Nc1ccccc1)c1ccc(C)o1
InChIInChI=1S/C18H19NO3/c1-4-12(2)17(20)16(15-11-10-13(3)22-15)18(21)19-14-8-6-5-7-9-14/h4-12,16H,1H2,2-3H3,(H,19,21)
InChIKeyQEQXOJGRFCLRIJ-UHFFFAOYSA-N
MW297.35 g/mol
LogP3.70
Rot. Bonds6

About 4-methyl-2-(5-methylfuran-2-yl)-3-oxo-N-phenylhex-5-enamide

4-methyl-2-(5-methylfuran-2-yl)-3-oxo-N-phenylhex-5-enamide (PubChem CID 87839445) has the molecular formula C18H19NO3 and a molecular weight of 297.35 g/mol. Its IUPAC name is 4-methyl-2-(5-methylfuran-2-yl)-3-oxo-N-phenylhex-5-enamide.

Molecular Properties

Compound Name4-methyl-2-(5-methylfuran-2-yl)-3-oxo-N-phenylhex-5-enamide
PubChem CID87839445
Molecular FormulaC18H19NO3
Molecular Weight297.35 g/mol
Exact Mass297.14
IUPAC Name4-methyl-2-(5-methylfuran-2-yl)-3-oxo-N-phenylhex-5-enamide
SMILESC=CC(C)C(=O)C(C(=O)Nc1ccccc1)c1ccc(C)o1
InChIInChI=1S/C18H19NO3/c1-4-12(2)17(20)16(15-11-10-13(3)22-15)18(21)19-14-8-6-5-7-9-14/h4-12,16H,1H2,2-3H3,(H,19,21)
InChIKeyQEQXOJGRFCLRIJ-UHFFFAOYSA-N
XLogP3.70
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-methyl-3-oxo-N,2-diphenylhex-5-enamide
CID 174817728
2-methyl-N,4,4-triphenylbut-3-enamide
CID 134919204
(2S,3R)-3-ethenyl-2-methyl-N-phenylhexanamide
CID 14175926
(2R)-2-amino-N-phenylpropanamide
CID 10607114
N-[1-(5-methylfuran-2-yl)ethyl]prop-2-enamide
CID 43697663
2-(1-anilino-1-oxopropan-2-yl)oxy-N-phenylpropanamide
CID 141218606
(2R)-2-methoxy-N-phenylpropanamide
CID 11805321
2-hydroxy-N-[1-(5-methylfuran-2-yl)ethyl]-2-phenylacetamide
CID 110884058
5-methyl-N-(phenylcarbamoyl)furan-2-carboxamide
CID 2753284
1-[(2R)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-3-phenylurea
CID 30089006
(2S)-2-(methylamino)-N-phenylpropanamide;hydrochloride
CID 70254304
N-[3-[1-(5-methylfuran-2-yl)ethylamino]phenyl]acetamide
CID 43193733

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(5-methylfuran-2-yl)-3-oxo-N-phenylhex-5-enamide?
The IUPAC name of 4-methyl-2-(5-methylfuran-2-yl)-3-oxo-N-phenylhex-5-enamide (CID 87839445) is 4-methyl-2-(5-methylfuran-2-yl)-3-oxo-N-phenylhex-5-enamide.
What is the SMILES notation for 4-methyl-2-(5-methylfuran-2-yl)-3-oxo-N-phenylhex-5-enamide?
The canonical SMILES for 4-methyl-2-(5-methylfuran-2-yl)-3-oxo-N-phenylhex-5-enamide is C=CC(C)C(=O)C(C(=O)Nc1ccccc1)c1ccc(C)o1.
What is the InChIKey of 4-methyl-2-(5-methylfuran-2-yl)-3-oxo-N-phenylhex-5-enamide?
The InChIKey is QEQXOJGRFCLRIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO3/c1-4-12(2)17(20)16(15-11-10-13(3)22-15)18(21)19-14-8-6-5-7-9-14/h4-12,16H,1H2,2-3H3,(H,19,21).
What are the key properties of 4-methyl-2-(5-methylfuran-2-yl)-3-oxo-N-phenylhex-5-enamide?
4-methyl-2-(5-methylfuran-2-yl)-3-oxo-N-phenylhex-5-enamide has a molecular weight of 297.35 g/mol, XLogP of 3.70, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(5-methylfuran-2-yl)-3-oxo-N-phenylhex-5-enamide is sourced from PubChem (CID 87839445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).