(E)-N-(2-phenylbutyl)-3-pyridin-4-ylprop-2-enamide

C18H20N2O — CID 46546878

IUPAC(E)-N-(2-phenylbutyl)-3-pyridin-4-ylprop-2-enamide
SMILESCCC(CNC(=O)/C=C/c1ccncc1)c1ccccc1
InChIInChI=1S/C18H20N2O/c1-2-16(17-6-4-3-5-7-17)14-20-18(21)9-8-15-10-12-19-13-11-15/h3-13,16H,2,14H2,1H3,(H,20,21)/b9-8+
InChIKeyILOZASHXRGLZFF-CMDGGOBGSA-N
MW280.37 g/mol
LogP3.40
Rot. Bonds6

About (E)-N-(2-phenylbutyl)-3-pyridin-4-ylprop-2-enamide

(E)-N-(2-phenylbutyl)-3-pyridin-4-ylprop-2-enamide (PubChem CID 46546878) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is (E)-N-(2-phenylbutyl)-3-pyridin-4-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-(2-phenylbutyl)-3-pyridin-4-ylprop-2-enamide
PubChem CID46546878
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC Name(E)-N-(2-phenylbutyl)-3-pyridin-4-ylprop-2-enamide
SMILESCCC(CNC(=O)/C=C/c1ccncc1)c1ccccc1
InChIInChI=1S/C18H20N2O/c1-2-16(17-6-4-3-5-7-17)14-20-18(21)9-8-15-10-12-19-13-11-15/h3-13,16H,2,14H2,1H3,(H,20,21)/b9-8+
InChIKeyILOZASHXRGLZFF-CMDGGOBGSA-N
XLogP3.40
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-ethyl-3-pyridin-4-ylprop-2-enamide
CID 131236538
tris((E)-N-[(2R)-2-hydroxybutyl]-3-phenylprop-2-enamide);hydrate
CID 139062706
(E)-N-(2-aminopropyl)-3-phenylprop-2-enamide
CID 63733129
(E)-N-(2-phenoxyethyl)-3-pyridin-4-ylprop-2-enamide
CID 39585351
3-pyridin-4-yl-N-(2,2,2-trifluoro-1-phenylethyl)prop-2-enamide
CID 103598367
N-[(2R)-2,3-bis(4-chlorophenyl)propyl]-3-phenylprop-2-enamide
CID 90956304
2-[(3-pyridin-3-ylprop-2-enoylamino)methyl]butanoic acid
CID 77061172
(2S)-2-hydroxy-3-[[(E)-3-phenylprop-2-enoyl]amino]propanoic acid
CID 107832797
N-hydroxy-3-pyridin-4-ylprop-2-enamide
CID 3623362
(Z)-N-[(2R)-2,3-dihydroxypropyl]-3-phenylprop-2-enamide
CID 92526146
3-phenyl-N-(3-pyridin-4-ylsulfanylpropyl)prop-2-enamide;hydrochloride
CID 67653231
(Z)-3-phenyl-N-[2-[[(E)-3-phenylprop-2-enoyl]amino]ethyl]prop-2-enamide
CID 51351606

Frequently Asked Questions

What is the IUPAC name of (E)-N-(2-phenylbutyl)-3-pyridin-4-ylprop-2-enamide?
The IUPAC name of (E)-N-(2-phenylbutyl)-3-pyridin-4-ylprop-2-enamide (CID 46546878) is (E)-N-(2-phenylbutyl)-3-pyridin-4-ylprop-2-enamide.
What is the SMILES notation for (E)-N-(2-phenylbutyl)-3-pyridin-4-ylprop-2-enamide?
The canonical SMILES for (E)-N-(2-phenylbutyl)-3-pyridin-4-ylprop-2-enamide is CCC(CNC(=O)/C=C/c1ccncc1)c1ccccc1.
What is the InChIKey of (E)-N-(2-phenylbutyl)-3-pyridin-4-ylprop-2-enamide?
The InChIKey is ILOZASHXRGLZFF-CMDGGOBGSA-N. The full InChI is InChI=1S/C18H20N2O/c1-2-16(17-6-4-3-5-7-17)14-20-18(21)9-8-15-10-12-19-13-11-15/h3-13,16H,2,14H2,1H3,(H,20,21)/b9-8+.
What are the key properties of (E)-N-(2-phenylbutyl)-3-pyridin-4-ylprop-2-enamide?
(E)-N-(2-phenylbutyl)-3-pyridin-4-ylprop-2-enamide has a molecular weight of 280.37 g/mol, XLogP of 3.40, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2-phenylbutyl)-3-pyridin-4-ylprop-2-enamide is sourced from PubChem (CID 46546878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).