N,N-dibenzylbut-3-enamide

C18H19NO — CID 134848345

IUPACN,N-dibenzylbut-3-enamide
SMILESC=CCC(=O)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C18H19NO/c1-2-9-18(20)19(14-16-10-5-3-6-11-16)15-17-12-7-4-8-13-17/h2-8,10-13H,1,9,14-15H2
InChIKeyYKSHMAHQPMBDIM-UHFFFAOYSA-N
MW265.36 g/mol
LogP3.79
Rot. Bonds6

About N,N-dibenzylbut-3-enamide

N,N-dibenzylbut-3-enamide (PubChem CID 134848345) has the molecular formula C18H19NO and a molecular weight of 265.36 g/mol. Its IUPAC name is N,N-dibenzylbut-3-enamide.

Molecular Properties

Compound NameN,N-dibenzylbut-3-enamide
PubChem CID134848345
Molecular FormulaC18H19NO
Molecular Weight265.36 g/mol
Exact Mass265.15
IUPAC NameN,N-dibenzylbut-3-enamide
SMILESC=CCC(=O)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C18H19NO/c1-2-9-18(20)19(14-16-10-5-3-6-11-16)15-17-12-7-4-8-13-17/h2-8,10-13H,1,9,14-15H2
InChIKeyYKSHMAHQPMBDIM-UHFFFAOYSA-N
XLogP3.79
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-benzyl-4-phenyl-N-prop-2-enylbut-3-enamide
CID 66486277
N,N-dibenzyl-2-[benzyl(but-3-enyl)amino]acetamide
CID 10949354
2-[benzyl(prop-2-enyl)amino]-2-oxoacetic acid
CID 130696057
2-amino-N,N-dibenzylacetamide
CID 11107897
benzyl(ethenyl)carbamic acid
CID 22377754
(3R,4R)-N,N,N',N'-tetrabenzyl-3,4-dimethylhexanediamide
CID 100939572
N-benzyl-3-hydroxy-N-prop-2-enylpent-4-enamide
CID 134893638
N-benzyl-2-fluoro-N-prop-2-enylprop-2-enamide
CID 71369406
N-benzyl-2,2-dichloro-N-prop-2-enylacetamide
CID 10083827
N,N'-dibenzyl-N,N'-diethyloxamide
CID 3417048
N',N'-dibenzylbutanediamide
CID 101024490
N-benzyl-N-prop-2-enylcarbamodithioate
CID 171600521

Frequently Asked Questions

What is the IUPAC name of N,N-dibenzylbut-3-enamide?
The IUPAC name of N,N-dibenzylbut-3-enamide (CID 134848345) is N,N-dibenzylbut-3-enamide.
What is the SMILES notation for N,N-dibenzylbut-3-enamide?
The canonical SMILES for N,N-dibenzylbut-3-enamide is C=CCC(=O)N(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of N,N-dibenzylbut-3-enamide?
The InChIKey is YKSHMAHQPMBDIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO/c1-2-9-18(20)19(14-16-10-5-3-6-11-16)15-17-12-7-4-8-13-17/h2-8,10-13H,1,9,14-15H2.
What are the key properties of N,N-dibenzylbut-3-enamide?
N,N-dibenzylbut-3-enamide has a molecular weight of 265.36 g/mol, XLogP of 3.79, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibenzylbut-3-enamide is sourced from PubChem (CID 134848345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).