(E)-N-benzyl-4-phenyl-N-prop-2-enylbut-3-enamide

C20H21NO — CID 66486277

IUPAC(E)-N-benzyl-4-phenyl-N-prop-2-enylbut-3-enamide
SMILESC=CCN(Cc1ccccc1)C(=O)C/C=C/c1ccccc1
InChIInChI=1S/C20H21NO/c1-2-16-21(17-19-12-7-4-8-13-19)20(22)15-9-14-18-10-5-3-6-11-18/h2-14H,1,15-17H2/b14-9+
InChIKeyWTVMHRMYTBOUGS-NTEUORMPSA-N
MW291.39 g/mol
LogP4.30
Rot. Bonds7

About (E)-N-benzyl-4-phenyl-N-prop-2-enylbut-3-enamide

(E)-N-benzyl-4-phenyl-N-prop-2-enylbut-3-enamide (PubChem CID 66486277) has the molecular formula C20H21NO and a molecular weight of 291.39 g/mol. Its IUPAC name is (E)-N-benzyl-4-phenyl-N-prop-2-enylbut-3-enamide.

Molecular Properties

Compound Name(E)-N-benzyl-4-phenyl-N-prop-2-enylbut-3-enamide
PubChem CID66486277
Molecular FormulaC20H21NO
Molecular Weight291.39 g/mol
Exact Mass291.16
IUPAC Name(E)-N-benzyl-4-phenyl-N-prop-2-enylbut-3-enamide
SMILESC=CCN(Cc1ccccc1)C(=O)C/C=C/c1ccccc1
InChIInChI=1S/C20H21NO/c1-2-16-21(17-19-12-7-4-8-13-19)20(22)15-9-14-18-10-5-3-6-11-18/h2-14H,1,15-17H2/b14-9+
InChIKeyWTVMHRMYTBOUGS-NTEUORMPSA-N
XLogP4.30
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 54.30
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

N,N-dibenzylbut-3-enamide
CID 134848345
2-[benzyl(prop-2-enyl)amino]-2-oxoacetic acid
CID 130696057
N,N-diethyl-4-phenylbut-3-enamide
CID 71333088
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
(Z)-N,N-dibenzyl-3-phenylprop-2-enamide
CID 11163228
N-benzyl-N-prop-2-enylcarbamodithioate
CID 171600521
[benzyl-[(E)-4-phenylbut-3-enoyl]amino] benzoate
CID 11728397
1-benzyl-3-phenyl-1-prop-2-enylurea
CID 34697540
2-[benzyl(methyl)amino]-N,N-bis(prop-2-enyl)acetamide
CID 54808897
sodium N-benzyl-N-prop-2-enylcarbamodithioate
CID 118484135

Frequently Asked Questions

What is the IUPAC name of (E)-N-benzyl-4-phenyl-N-prop-2-enylbut-3-enamide?
The IUPAC name of (E)-N-benzyl-4-phenyl-N-prop-2-enylbut-3-enamide (CID 66486277) is (E)-N-benzyl-4-phenyl-N-prop-2-enylbut-3-enamide.
What is the SMILES notation for (E)-N-benzyl-4-phenyl-N-prop-2-enylbut-3-enamide?
The canonical SMILES for (E)-N-benzyl-4-phenyl-N-prop-2-enylbut-3-enamide is C=CCN(Cc1ccccc1)C(=O)C/C=C/c1ccccc1.
What is the InChIKey of (E)-N-benzyl-4-phenyl-N-prop-2-enylbut-3-enamide?
The InChIKey is WTVMHRMYTBOUGS-NTEUORMPSA-N. The full InChI is InChI=1S/C20H21NO/c1-2-16-21(17-19-12-7-4-8-13-19)20(22)15-9-14-18-10-5-3-6-11-18/h2-14H,1,15-17H2/b14-9+.
What are the key properties of (E)-N-benzyl-4-phenyl-N-prop-2-enylbut-3-enamide?
(E)-N-benzyl-4-phenyl-N-prop-2-enylbut-3-enamide has a molecular weight of 291.39 g/mol, XLogP of 4.30, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-benzyl-4-phenyl-N-prop-2-enylbut-3-enamide is sourced from PubChem (CID 66486277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).