4-methyl-N-(1-phenylbut-3-en-2-yl)benzamide

C18H19NO — CID 19365215

IUPAC4-methyl-N-(1-phenylbut-3-en-2-yl)benzamide
SMILESC=CC(Cc1ccccc1)NC(=O)c1ccc(C)cc1
InChIInChI=1S/C18H19NO/c1-3-17(13-15-7-5-4-6-8-15)19-18(20)16-11-9-14(2)10-12-16/h3-12,17H,1,13H2,2H3,(H,19,20)
InChIKeyXMKDURWBUOYWCX-UHFFFAOYSA-N
MW265.36 g/mol
LogP3.52
Rot. Bonds5

About 4-methyl-N-(1-phenylbut-3-en-2-yl)benzamide

4-methyl-N-(1-phenylbut-3-en-2-yl)benzamide (PubChem CID 19365215) has the molecular formula C18H19NO and a molecular weight of 265.36 g/mol. Its IUPAC name is 4-methyl-N-(1-phenylbut-3-en-2-yl)benzamide.

Molecular Properties

Compound Name4-methyl-N-(1-phenylbut-3-en-2-yl)benzamide
PubChem CID19365215
Molecular FormulaC18H19NO
Molecular Weight265.36 g/mol
Exact Mass265.15
IUPAC Name4-methyl-N-(1-phenylbut-3-en-2-yl)benzamide
SMILESC=CC(Cc1ccccc1)NC(=O)c1ccc(C)cc1
InChIInChI=1S/C18H19NO/c1-3-17(13-15-7-5-4-6-8-15)19-18(20)16-11-9-14(2)10-12-16/h3-12,17H,1,13H2,2H3,(H,19,20)
InChIKeyXMKDURWBUOYWCX-UHFFFAOYSA-N
XLogP3.52
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-benzoyl-N-[(2S)-1-oxo-3-phenylpropan-2-yl]benzamide
CID 20666681
ethyl 3-benzamidopent-4-enoate
CID 10514640
(2S)-2-[[(2S)-2-[(4-methylbenzoyl)amino]propanoyl]amino]-3-phenylpropanoic acid
CID 54392610
N-[1-hydroxy-2-(4-methylphenyl)-2-oxoethyl]benzamide
CID 3598985
N-[(1S)-2,2-dichloro-1-[(2-phenylacetyl)amino]ethyl]-4-methylbenzamide
CID 98209072
N-[(2S)-1-oxo-3-phenylpropan-2-yl]-4-pyridin-2-ylbenzamide
CID 20666700
N-[2-[(2-amino-3-phenylpropanoyl)amino]ethyl]-4-methylbenzamide
CID 119299595
4-methyl-N-[(1S)-1-phenylethyl]benzamide
CID 730323
N-[hydroxy(phenyl)methyl]-4-methylbenzamide
CID 3358853
N-[2-[[(2S)-2-amino-3-phenylpropanoyl]amino]ethyl]-4-methylbenzamide;hydrochloride
CID 119299589
N-(1-benzylsulfanyl-2,2-dichloroethyl)-4-methylbenzamide
CID 45142514
benzyl-[2,2,2-tribromo-1-[(4-methylbenzoyl)amino]ethyl]azanium
CID 4225844

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(1-phenylbut-3-en-2-yl)benzamide?
The IUPAC name of 4-methyl-N-(1-phenylbut-3-en-2-yl)benzamide (CID 19365215) is 4-methyl-N-(1-phenylbut-3-en-2-yl)benzamide.
What is the SMILES notation for 4-methyl-N-(1-phenylbut-3-en-2-yl)benzamide?
The canonical SMILES for 4-methyl-N-(1-phenylbut-3-en-2-yl)benzamide is C=CC(Cc1ccccc1)NC(=O)c1ccc(C)cc1.
What is the InChIKey of 4-methyl-N-(1-phenylbut-3-en-2-yl)benzamide?
The InChIKey is XMKDURWBUOYWCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO/c1-3-17(13-15-7-5-4-6-8-15)19-18(20)16-11-9-14(2)10-12-16/h3-12,17H,1,13H2,2H3,(H,19,20).
What are the key properties of 4-methyl-N-(1-phenylbut-3-en-2-yl)benzamide?
4-methyl-N-(1-phenylbut-3-en-2-yl)benzamide has a molecular weight of 265.36 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(1-phenylbut-3-en-2-yl)benzamide is sourced from PubChem (CID 19365215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).