N-benzyl-2-(4-methylphenyl)penta-2,3-dienamide

C19H19NO — CID 176530127

IUPACN-benzyl-2-(4-methylphenyl)penta-2,3-dienamide
SMILESCC=C=C(C(=O)NCc1ccccc1)c1ccc(C)cc1
InChIInChI=1S/C19H19NO/c1-3-7-18(17-12-10-15(2)11-13-17)19(21)20-14-16-8-5-4-6-9-16/h3-6,8-13H,14H2,1-2H3,(H,20,21)
InChIKeyHCAKADCIEIDKRL-UHFFFAOYSA-N
MW277.37 g/mol
LogP3.87
Rot. Bonds4

About N-benzyl-2-(4-methylphenyl)penta-2,3-dienamide

N-benzyl-2-(4-methylphenyl)penta-2,3-dienamide (PubChem CID 176530127) has the molecular formula C19H19NO and a molecular weight of 277.37 g/mol. Its IUPAC name is N-benzyl-2-(4-methylphenyl)penta-2,3-dienamide.

Molecular Properties

Compound NameN-benzyl-2-(4-methylphenyl)penta-2,3-dienamide
PubChem CID176530127
Molecular FormulaC19H19NO
Molecular Weight277.37 g/mol
Exact Mass277.15
IUPAC NameN-benzyl-2-(4-methylphenyl)penta-2,3-dienamide
SMILESCC=C=C(C(=O)NCc1ccccc1)c1ccc(C)cc1
InChIInChI=1S/C19H19NO/c1-3-7-18(17-12-10-15(2)11-13-17)19(21)20-14-16-8-5-4-6-9-16/h3-6,8-13H,14H2,1-2H3,(H,20,21)
InChIKeyHCAKADCIEIDKRL-UHFFFAOYSA-N
XLogP3.87
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[(Z)-3-(benzylamino)-1-(4-methylphenyl)-3-oxoprop-1-en-2-yl]-4-methylbenzamide
CID 7463615
N-[(E)-3-(benzylamino)-3-oxo-1-phenylprop-1-en-2-yl]-4-methylbenzamide
CID 2252632
N,N'-bis[(4-methylphenyl)methyl]oxamide
CID 3116969
N-[(4-methylphenyl)methyl]-4-phenylbenzamide
CID 1228171
(Z)-N-benzyl-2-cyanobut-2-enamide;ethane
CID 156894406
N-benzylacetamide;toluene
CID 175498463
2-cyano-N-[(4-methylphenyl)methyl]-3-phenylprop-2-enamide
CID 3473703
N-[3-(benzylamino)-1-(2-chlorophenyl)-3-oxoprop-1-en-2-yl]-4-methylbenzamide
CID 1189200
(4-methylphenyl) N-benzylcarbamate
CID 14292552
N-benzyl-4-[2-(4-methylbenzoyl)hydrazinyl]-4-oxobutanamide
CID 3334492
(6E)-6-[(benzylamino)-(4-methylphenyl)methylidene]decan-5-one
CID 166174293
N-[(benzylcarbamothioylamino)carbamothioyl]-4-methylbenzamide
CID 2467344

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(4-methylphenyl)penta-2,3-dienamide?
The IUPAC name of N-benzyl-2-(4-methylphenyl)penta-2,3-dienamide (CID 176530127) is N-benzyl-2-(4-methylphenyl)penta-2,3-dienamide.
What is the SMILES notation for N-benzyl-2-(4-methylphenyl)penta-2,3-dienamide?
The canonical SMILES for N-benzyl-2-(4-methylphenyl)penta-2,3-dienamide is CC=C=C(C(=O)NCc1ccccc1)c1ccc(C)cc1.
What is the InChIKey of N-benzyl-2-(4-methylphenyl)penta-2,3-dienamide?
The InChIKey is HCAKADCIEIDKRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO/c1-3-7-18(17-12-10-15(2)11-13-17)19(21)20-14-16-8-5-4-6-9-16/h3-6,8-13H,14H2,1-2H3,(H,20,21).
What are the key properties of N-benzyl-2-(4-methylphenyl)penta-2,3-dienamide?
N-benzyl-2-(4-methylphenyl)penta-2,3-dienamide has a molecular weight of 277.37 g/mol, XLogP of 3.87, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(4-methylphenyl)penta-2,3-dienamide is sourced from PubChem (CID 176530127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).