(E)-4-phenyl-N-propylbut-3-enamide

C13H17NO — CID 12872264

IUPAC(E)-4-phenyl-N-propylbut-3-enamide
SMILESCCCNC(=O)C/C=C/c1ccccc1
InChIInChI=1S/C13H17NO/c1-2-11-14-13(15)10-6-9-12-7-4-3-5-8-12/h3-9H,2,10-11H2,1H3,(H,14,15)/b9-6+
InChIKeyJSNYSICWEBFMHR-RMKNXTFCSA-N
MW203.29 g/mol
LogP2.62
Rot. Bonds5

About (E)-4-phenyl-N-propylbut-3-enamide

(E)-4-phenyl-N-propylbut-3-enamide (PubChem CID 12872264) has the molecular formula C13H17NO and a molecular weight of 203.29 g/mol. Its IUPAC name is (E)-4-phenyl-N-propylbut-3-enamide.

Molecular Properties

Compound Name(E)-4-phenyl-N-propylbut-3-enamide
PubChem CID12872264
Molecular FormulaC13H17NO
Molecular Weight203.29 g/mol
Exact Mass203.13
IUPAC Name(E)-4-phenyl-N-propylbut-3-enamide
SMILESCCCNC(=O)C/C=C/c1ccccc1
InChIInChI=1S/C13H17NO/c1-2-11-14-13(15)10-6-9-12-7-4-3-5-8-12/h3-9H,2,10-11H2,1H3,(H,14,15)/b9-6+
InChIKeyJSNYSICWEBFMHR-RMKNXTFCSA-N
XLogP2.62
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (E)-4-phenyl-N-propylbut-3-enamide?
The IUPAC name of (E)-4-phenyl-N-propylbut-3-enamide (CID 12872264) is (E)-4-phenyl-N-propylbut-3-enamide.
What is the SMILES notation for (E)-4-phenyl-N-propylbut-3-enamide?
The canonical SMILES for (E)-4-phenyl-N-propylbut-3-enamide is CCCNC(=O)C/C=C/c1ccccc1.
What is the InChIKey of (E)-4-phenyl-N-propylbut-3-enamide?
The InChIKey is JSNYSICWEBFMHR-RMKNXTFCSA-N. The full InChI is InChI=1S/C13H17NO/c1-2-11-14-13(15)10-6-9-12-7-4-3-5-8-12/h3-9H,2,10-11H2,1H3,(H,14,15)/b9-6+.
What are the key properties of (E)-4-phenyl-N-propylbut-3-enamide?
(E)-4-phenyl-N-propylbut-3-enamide has a molecular weight of 203.29 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-phenyl-N-propylbut-3-enamide is sourced from PubChem (CID 12872264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).