N-benzyl-N-but-3-enyl-2-cyano-2-phenylacetamide

C20H20N2O — CID 102216823

IUPACN-benzyl-N-but-3-enyl-2-cyano-2-phenylacetamide
SMILESC=CCCN(Cc1ccccc1)C(=O)C(C#N)c1ccccc1
InChIInChI=1S/C20H20N2O/c1-2-3-14-22(16-17-10-6-4-7-11-17)20(23)19(15-21)18-12-8-5-9-13-18/h2,4-13,19H,1,3,14,16H2
InChIKeyUIQIZDHQECKEJL-UHFFFAOYSA-N
MW304.39 g/mol
LogP3.90
Rot. Bonds7

About N-benzyl-N-but-3-enyl-2-cyano-2-phenylacetamide

N-benzyl-N-but-3-enyl-2-cyano-2-phenylacetamide (PubChem CID 102216823) has the molecular formula C20H20N2O and a molecular weight of 304.39 g/mol. Its IUPAC name is N-benzyl-N-but-3-enyl-2-cyano-2-phenylacetamide.

Molecular Properties

Compound NameN-benzyl-N-but-3-enyl-2-cyano-2-phenylacetamide
PubChem CID102216823
Molecular FormulaC20H20N2O
Molecular Weight304.39 g/mol
Exact Mass304.16
IUPAC NameN-benzyl-N-but-3-enyl-2-cyano-2-phenylacetamide
SMILESC=CCCN(Cc1ccccc1)C(=O)C(C#N)c1ccccc1
InChIInChI=1S/C20H20N2O/c1-2-3-14-22(16-17-10-6-4-7-11-17)20(23)19(15-21)18-12-8-5-9-13-18/h2,4-13,19H,1,3,14,16H2
InChIKeyUIQIZDHQECKEJL-UHFFFAOYSA-N
XLogP3.90
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-N-but-3-enylbut-2-enamide
CID 72969780
N,N-dibenzyl-2-[benzyl(but-3-enyl)amino]acetamide
CID 10949354
2-cyano-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-phenylacetamide
CID 107479516
(2R)-4-[benzyl(methyl)amino]-3-oxo-2-phenylbutanenitrile
CID 2337612
2-cyano-N-[2-(dimethylamino)-2-oxoethyl]-2-phenyl-N-propylacetamide
CID 62878774
N-benzyl-N-methylbut-3-en-1-amine
CID 10702410
N-(2-amino-2-oxoethyl)-N-butyl-2-cyano-2-phenylacetamide
CID 62878068
N-[3-[benzyl(methyl)amino]propyl]-2-cyano-2-phenylacetamide
CID 113230171
N-benzyl-N-(cyanomethyl)prop-2-enamide
CID 61042063
N-benzyl-2,2-dichloro-N-prop-2-enylacetamide
CID 10083827
2-cyano-N-cyclopentyl-N-(2-hydroxyethyl)-2-phenylacetamide
CID 62877024
(2R)-2-cyano-2-phenylacetic acid
CID 6999087

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-but-3-enyl-2-cyano-2-phenylacetamide?
The IUPAC name of N-benzyl-N-but-3-enyl-2-cyano-2-phenylacetamide (CID 102216823) is N-benzyl-N-but-3-enyl-2-cyano-2-phenylacetamide.
What is the SMILES notation for N-benzyl-N-but-3-enyl-2-cyano-2-phenylacetamide?
The canonical SMILES for N-benzyl-N-but-3-enyl-2-cyano-2-phenylacetamide is C=CCCN(Cc1ccccc1)C(=O)C(C#N)c1ccccc1.
What is the InChIKey of N-benzyl-N-but-3-enyl-2-cyano-2-phenylacetamide?
The InChIKey is UIQIZDHQECKEJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O/c1-2-3-14-22(16-17-10-6-4-7-11-17)20(23)19(15-21)18-12-8-5-9-13-18/h2,4-13,19H,1,3,14,16H2.
What are the key properties of N-benzyl-N-but-3-enyl-2-cyano-2-phenylacetamide?
N-benzyl-N-but-3-enyl-2-cyano-2-phenylacetamide has a molecular weight of 304.39 g/mol, XLogP of 3.90, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-but-3-enyl-2-cyano-2-phenylacetamide is sourced from PubChem (CID 102216823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).