N-benzyl-N-but-3-enylbut-2-enamide

C15H19NO — CID 72969780

IUPACN-benzyl-N-but-3-enylbut-2-enamide
SMILESC=CCCN(Cc1ccccc1)C(=O)C=CC
InChIInChI=1S/C15H19NO/c1-3-5-12-16(15(17)9-4-2)13-14-10-7-6-8-11-14/h3-4,6-11H,1,5,12-13H2,2H3
InChIKeyKBISOPWPZPGLIF-UHFFFAOYSA-N
MW229.32 g/mol
LogP3.17
Rot. Bonds6

About N-benzyl-N-but-3-enylbut-2-enamide

N-benzyl-N-but-3-enylbut-2-enamide (PubChem CID 72969780) has the molecular formula C15H19NO and a molecular weight of 229.32 g/mol. Its IUPAC name is N-benzyl-N-but-3-enylbut-2-enamide.

Molecular Properties

Compound NameN-benzyl-N-but-3-enylbut-2-enamide
PubChem CID72969780
Molecular FormulaC15H19NO
Molecular Weight229.32 g/mol
Exact Mass229.15
IUPAC NameN-benzyl-N-but-3-enylbut-2-enamide
SMILESC=CCCN(Cc1ccccc1)C(=O)C=CC
InChIInChI=1S/C15H19NO/c1-3-5-12-16(15(17)9-4-2)13-14-10-7-6-8-11-14/h3-4,6-11H,1,5,12-13H2,2H3
InChIKeyKBISOPWPZPGLIF-UHFFFAOYSA-N
XLogP3.17
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-benzyl-N-but-3-enylbut-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,N-dibenzylbut-2-enamide
CID 71340814
(E)-N-benzyl-N-but-3-enyl-3-(1H-indol-3-yl)prop-2-enamide
CID 122205082
methyl 2-[benzyl(but-2-enoyl)amino]acetate
CID 78919796
N-benzyl-N-methylbut-3-en-1-amine
CID 10702410
N,N-dibenzyl-2-[benzyl(but-3-enyl)amino]acetamide
CID 10949354
(E)-N-benzyl-N-(3-oxopropyl)-3-phenylprop-2-enamide
CID 11077226
tert-butyl N-benzyl-N-pent-4-enylcarbamate
CID 15840242
4-[benzyl(2-phenylethyl)amino]-4-oxobut-2-enoic acid
CID 6735055
N-benzyl-N-pentylprop-2-enamide
CID 176825792
N-benzyl-N-but-3-enyl-2-cyano-2-phenylacetamide
CID 102216823
N-benzyl-N-[2-[benzyl(buta-1,3-dien-2-yl)amino]ethyl]prop-2-enamide
CID 135129741
(Z)-N,N-dibenzyl-3-phenylprop-2-enamide
CID 11163228

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-but-3-enylbut-2-enamide?
The IUPAC name of N-benzyl-N-but-3-enylbut-2-enamide (CID 72969780) is N-benzyl-N-but-3-enylbut-2-enamide.
What is the SMILES notation for N-benzyl-N-but-3-enylbut-2-enamide?
The canonical SMILES for N-benzyl-N-but-3-enylbut-2-enamide is C=CCCN(Cc1ccccc1)C(=O)C=CC.
What is the InChIKey of N-benzyl-N-but-3-enylbut-2-enamide?
The InChIKey is KBISOPWPZPGLIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO/c1-3-5-12-16(15(17)9-4-2)13-14-10-7-6-8-11-14/h3-4,6-11H,1,5,12-13H2,2H3.
What are the key properties of N-benzyl-N-but-3-enylbut-2-enamide?
N-benzyl-N-but-3-enylbut-2-enamide has a molecular weight of 229.32 g/mol, XLogP of 3.17, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-but-3-enylbut-2-enamide is sourced from PubChem (CID 72969780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).