(E)-N-(3-ethenoxypropyl)-4-phenylbut-3-enamide

C15H19NO2 — CID 20697234

IUPAC(E)-N-(3-ethenoxypropyl)-4-phenylbut-3-enamide
SMILESC=COCCCNC(=O)C/C=C/c1ccccc1
InChIInChI=1S/C15H19NO2/c1-2-18-13-7-12-16-15(17)11-6-10-14-8-4-3-5-9-14/h2-6,8-10H,1,7,11-13H2,(H,16,17)/b10-6+
InChIKeyNNPFZYALFMBJRM-UXBLZVDNSA-N
MW245.32 g/mol
LogP2.76
Rot. Bonds8

About (E)-N-(3-ethenoxypropyl)-4-phenylbut-3-enamide

(E)-N-(3-ethenoxypropyl)-4-phenylbut-3-enamide (PubChem CID 20697234) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is (E)-N-(3-ethenoxypropyl)-4-phenylbut-3-enamide.

Molecular Properties

Compound Name(E)-N-(3-ethenoxypropyl)-4-phenylbut-3-enamide
PubChem CID20697234
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Name(E)-N-(3-ethenoxypropyl)-4-phenylbut-3-enamide
SMILESC=COCCCNC(=O)C/C=C/c1ccccc1
InChIInChI=1S/C15H19NO2/c1-2-18-13-7-12-16-15(17)11-6-10-14-8-4-3-5-9-14/h2-6,8-10H,1,7,11-13H2,(H,16,17)/b10-6+
InChIKeyNNPFZYALFMBJRM-UXBLZVDNSA-N
XLogP2.76
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-N-(3-ethenoxypropyl)-4-phenylbut-3-enamide?
The IUPAC name of (E)-N-(3-ethenoxypropyl)-4-phenylbut-3-enamide (CID 20697234) is (E)-N-(3-ethenoxypropyl)-4-phenylbut-3-enamide.
What is the SMILES notation for (E)-N-(3-ethenoxypropyl)-4-phenylbut-3-enamide?
The canonical SMILES for (E)-N-(3-ethenoxypropyl)-4-phenylbut-3-enamide is C=COCCCNC(=O)C/C=C/c1ccccc1.
What is the InChIKey of (E)-N-(3-ethenoxypropyl)-4-phenylbut-3-enamide?
The InChIKey is NNPFZYALFMBJRM-UXBLZVDNSA-N. The full InChI is InChI=1S/C15H19NO2/c1-2-18-13-7-12-16-15(17)11-6-10-14-8-4-3-5-9-14/h2-6,8-10H,1,7,11-13H2,(H,16,17)/b10-6+.
What are the key properties of (E)-N-(3-ethenoxypropyl)-4-phenylbut-3-enamide?
(E)-N-(3-ethenoxypropyl)-4-phenylbut-3-enamide has a molecular weight of 245.32 g/mol, XLogP of 2.76, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(3-ethenoxypropyl)-4-phenylbut-3-enamide is sourced from PubChem (CID 20697234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).