N,N-dibenzylbut-2-enamide

C18H19NO — CID 71340814

IUPACN,N-dibenzylbut-2-enamide
SMILESCC=CC(=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/h2-13H,14-15H2,1H3
InChIKeyPDSGNCLCMINFGM-UHFFFAOYSA-N
MW265.36 g/mol
LogP3.79
Rot. Bonds5

About N,N-dibenzylbut-2-enamide

N,N-dibenzylbut-2-enamide (PubChem CID 71340814) has the molecular formula C18H19NO and a molecular weight of 265.36 g/mol. Its IUPAC name is N,N-dibenzylbut-2-enamide.

Molecular Properties

Compound NameN,N-dibenzylbut-2-enamide
PubChem CID71340814
Molecular FormulaC18H19NO
Molecular Weight265.36 g/mol
Exact Mass265.15
IUPAC NameN,N-dibenzylbut-2-enamide
SMILESCC=CC(=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/h2-13H,14-15H2,1H3
InChIKeyPDSGNCLCMINFGM-UHFFFAOYSA-N
XLogP3.79
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
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': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

methyl 2-[benzyl(but-2-enoyl)amino]acetate
CID 78919796
N-benzyl-N-but-3-enylbut-2-enamide
CID 72969780
(Z)-N,N-dibenzyl-3-phenylprop-2-enamide
CID 11163228
4-[benzyl(2-phenylethyl)amino]-4-oxobut-2-enoic acid
CID 6735055
N,N'-dibenzyl-N,N'-diethyloxamide
CID 3417048
N-[2-[acetyl(benzyl)amino]ethyl]-N-benzylacetamide
CID 562449
N-benzyl-N-[(Z)-prop-1-enyl]acetamide
CID 68566363
(E)-N,N-dibenzyl-3-(furan-2-yl)prop-2-enamide
CID 790450
(E)-4-[benzyl(cyanomethyl)amino]-4-oxobut-2-enoic acid
CID 54916537
N-[(4-cyanophenyl)methyl]-N-propylbut-2-enamide
CID 112725777
4-[benzyl(naphthalen-2-ylmethyl)amino]-4-oxobut-2-enoic acid
CID 68879443
(111C)methyl N,N-dibenzylcarbamate
CID 10106358

Frequently Asked Questions

What is the IUPAC name of N,N-dibenzylbut-2-enamide?
The IUPAC name of N,N-dibenzylbut-2-enamide (CID 71340814) is N,N-dibenzylbut-2-enamide.
What is the SMILES notation for N,N-dibenzylbut-2-enamide?
The canonical SMILES for N,N-dibenzylbut-2-enamide is CC=CC(=O)N(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of N,N-dibenzylbut-2-enamide?
The InChIKey is PDSGNCLCMINFGM-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/h2-13H,14-15H2,1H3.
What are the key properties of N,N-dibenzylbut-2-enamide?
N,N-dibenzylbut-2-enamide has a molecular weight of 265.36 g/mol, XLogP of 3.79, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibenzylbut-2-enamide is sourced from PubChem (CID 71340814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).