4,4,5,5-tetramethyl-N-[2-(4-methylphenyl)-1-phenylethyl]hex-2-enamide

C25H33NO — CID 54296875

IUPAC4,4,5,5-tetramethyl-N-[2-(4-methylphenyl)-1-phenylethyl]hex-2-enamide
SMILESCc1ccc(CC(NC(=O)C=CC(C)(C)C(C)(C)C)c2ccccc2)cc1
InChIInChI=1S/C25H33NO/c1-19-12-14-20(15-13-19)18-22(21-10-8-7-9-11-21)26-23(27)16-17-25(5,6)24(2,3)4/h7-17,22H,18H2,1-6H3,(H,26,27)
InChIKeySBJVJBUHUMIHDC-UHFFFAOYSA-N
MW363.55 g/mol
LogP6.02
Rot. Bonds6

About 4,4,5,5-tetramethyl-N-[2-(4-methylphenyl)-1-phenylethyl]hex-2-enamide

4,4,5,5-tetramethyl-N-[2-(4-methylphenyl)-1-phenylethyl]hex-2-enamide (PubChem CID 54296875) has the molecular formula C25H33NO and a molecular weight of 363.55 g/mol. Its IUPAC name is 4,4,5,5-tetramethyl-N-[2-(4-methylphenyl)-1-phenylethyl]hex-2-enamide.

Molecular Properties

Compound Name4,4,5,5-tetramethyl-N-[2-(4-methylphenyl)-1-phenylethyl]hex-2-enamide
PubChem CID54296875
Molecular FormulaC25H33NO
Molecular Weight363.55 g/mol
Exact Mass363.26
IUPAC Name4,4,5,5-tetramethyl-N-[2-(4-methylphenyl)-1-phenylethyl]hex-2-enamide
SMILESCc1ccc(CC(NC(=O)C=CC(C)(C)C(C)(C)C)c2ccccc2)cc1
InChIInChI=1S/C25H33NO/c1-19-12-14-20(15-13-19)18-22(21-10-8-7-9-11-21)26-23(27)16-17-25(5,6)24(2,3)4/h7-17,22H,18H2,1-6H3,(H,26,27)
InChIKeySBJVJBUHUMIHDC-UHFFFAOYSA-N
XLogP6.02
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.55
LogP ≤ 56.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 4,4,5,5-tetramethyl-N-[2-(4-methylphenyl)-1-phenylethyl]hex-2-enamide with MolForge

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Related Compounds

3-[dimethyl(octyl)silyl]-N-[2-(4-methylphenyl)-1-phenylethyl]prop-2-enamide
CID 54381001
N-[(1S)-1,2-diphenylethyl]-2,2-dimethylpropanamide
CID 41097241
1-(1,2-diphenylethyl)-3-methylurea
CID 23548551
4-[[2-methyl-3-(4-methylphenyl)propanoyl]amino]-4-phenylbutanoic acid
CID 120686336
N-(1,2-diphenylethyl)buta-2,3-dienamide
CID 176519467
(9Z,12Z)-N-[(1S)-2-(4-methylphenyl)-1-phenylethyl]octadeca-9,12-dienamide
CID 6436044
N-(3-iodophenyl)-N'-[2-(4-methylphenyl)-1-phenylethyl]oxamide
CID 163970431
(E)-3-(furan-2-yl)-N-[2-phenyl-1-(4-phenylphenyl)ethyl]prop-2-enamide
CID 6057021
methyl N-(1,2-diphenylethyl)carbamate
CID 139785732
N-(2-hydroxy-1-phenylethyl)-2-(4-methylphenyl)acetamide
CID 63184520
1,2-diphenylethylurea
CID 2853470
(E)-N-[(1S)-2-hydroxy-1-phenylethyl]but-2-enamide
CID 102059297

Frequently Asked Questions

What is the IUPAC name of 4,4,5,5-tetramethyl-N-[2-(4-methylphenyl)-1-phenylethyl]hex-2-enamide?
The IUPAC name of 4,4,5,5-tetramethyl-N-[2-(4-methylphenyl)-1-phenylethyl]hex-2-enamide (CID 54296875) is 4,4,5,5-tetramethyl-N-[2-(4-methylphenyl)-1-phenylethyl]hex-2-enamide.
What is the SMILES notation for 4,4,5,5-tetramethyl-N-[2-(4-methylphenyl)-1-phenylethyl]hex-2-enamide?
The canonical SMILES for 4,4,5,5-tetramethyl-N-[2-(4-methylphenyl)-1-phenylethyl]hex-2-enamide is Cc1ccc(CC(NC(=O)C=CC(C)(C)C(C)(C)C)c2ccccc2)cc1.
What is the InChIKey of 4,4,5,5-tetramethyl-N-[2-(4-methylphenyl)-1-phenylethyl]hex-2-enamide?
The InChIKey is SBJVJBUHUMIHDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33NO/c1-19-12-14-20(15-13-19)18-22(21-10-8-7-9-11-21)26-23(27)16-17-25(5,6)24(2,3)4/h7-17,22H,18H2,1-6H3,(H,26,27).
What are the key properties of 4,4,5,5-tetramethyl-N-[2-(4-methylphenyl)-1-phenylethyl]hex-2-enamide?
4,4,5,5-tetramethyl-N-[2-(4-methylphenyl)-1-phenylethyl]hex-2-enamide has a molecular weight of 363.55 g/mol, XLogP of 6.02, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,5,5-tetramethyl-N-[2-(4-methylphenyl)-1-phenylethyl]hex-2-enamide is sourced from PubChem (CID 54296875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).