4-methyl-3-oxo-N,2-diphenylhex-5-enamide

C19H19NO2 — CID 174817728

IUPAC4-methyl-3-oxo-N,2-diphenylhex-5-enamide
SMILESC=CC(C)C(=O)C(C(=O)Nc1ccccc1)c1ccccc1
InChIInChI=1S/C19H19NO2/c1-3-14(2)18(21)17(15-10-6-4-7-11-15)19(22)20-16-12-8-5-9-13-16/h3-14,17H,1H2,2H3,(H,20,22)
InChIKeyDWWXGURQLQFEQF-UHFFFAOYSA-N
MW293.37 g/mol
LogP3.80
Rot. Bonds6

About 4-methyl-3-oxo-N,2-diphenylhex-5-enamide

4-methyl-3-oxo-N,2-diphenylhex-5-enamide (PubChem CID 174817728) has the molecular formula C19H19NO2 and a molecular weight of 293.37 g/mol. Its IUPAC name is 4-methyl-3-oxo-N,2-diphenylhex-5-enamide.

Molecular Properties

Compound Name4-methyl-3-oxo-N,2-diphenylhex-5-enamide
PubChem CID174817728
Molecular FormulaC19H19NO2
Molecular Weight293.37 g/mol
Exact Mass293.14
IUPAC Name4-methyl-3-oxo-N,2-diphenylhex-5-enamide
SMILESC=CC(C)C(=O)C(C(=O)Nc1ccccc1)c1ccccc1
InChIInChI=1S/C19H19NO2/c1-3-14(2)18(21)17(15-10-6-4-7-11-15)19(22)20-16-12-8-5-9-13-16/h3-14,17H,1H2,2H3,(H,20,22)
InChIKeyDWWXGURQLQFEQF-UHFFFAOYSA-N
XLogP3.80
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-2-(5-methylfuran-2-yl)-3-oxo-N-phenylhex-5-enamide
CID 87839445
ethyl 3-anilino-3-oxo-2-phenylpropanoate
CID 10062364
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
2-(1-anilino-1-oxopropan-2-yl)oxy-N-phenylpropanamide
CID 141218606
(2R)-2-methoxy-N-phenylpropanamide
CID 11805321
3-amino-2-methyl-3-phenyl-N-prop-2-enylpropanamide
CID 80551795
N-(4-ethenylphenyl)-2,2-diphenylacetamide
CID 122527147
(2S)-2-(methylamino)-N-phenylpropanamide;hydrochloride
CID 70254304
(2S)-2-methyl-3-phenylpent-4-enoic acid
CID 70506498
(E,2R)-2-hydroxy-5-methyl-N-phenylhex-3-enamide
CID 101409602

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-oxo-N,2-diphenylhex-5-enamide?
The IUPAC name of 4-methyl-3-oxo-N,2-diphenylhex-5-enamide (CID 174817728) is 4-methyl-3-oxo-N,2-diphenylhex-5-enamide.
What is the SMILES notation for 4-methyl-3-oxo-N,2-diphenylhex-5-enamide?
The canonical SMILES for 4-methyl-3-oxo-N,2-diphenylhex-5-enamide is C=CC(C)C(=O)C(C(=O)Nc1ccccc1)c1ccccc1.
What is the InChIKey of 4-methyl-3-oxo-N,2-diphenylhex-5-enamide?
The InChIKey is DWWXGURQLQFEQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO2/c1-3-14(2)18(21)17(15-10-6-4-7-11-15)19(22)20-16-12-8-5-9-13-16/h3-14,17H,1H2,2H3,(H,20,22).
What are the key properties of 4-methyl-3-oxo-N,2-diphenylhex-5-enamide?
4-methyl-3-oxo-N,2-diphenylhex-5-enamide has a molecular weight of 293.37 g/mol, XLogP of 3.80, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-oxo-N,2-diphenylhex-5-enamide is sourced from PubChem (CID 174817728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).