5,5-diphenyl-N-(4-pyridin-3-ylbutyl)pent-4-enamide

C26H28N2O — CID 14547223

IUPAC5,5-diphenyl-N-(4-pyridin-3-ylbutyl)pent-4-enamide
SMILESO=C(CCC=C(c1ccccc1)c1ccccc1)NCCCCc1cccnc1
InChIInChI=1S/C26H28N2O/c29-26(28-20-8-7-11-22-12-10-19-27-21-22)18-9-17-25(23-13-3-1-4-14-23)24-15-5-2-6-16-24/h1-6,10,12-17,19,21H,7-9,11,18,20H2,(H,28,29)
InChIKeyBZVZGWHNPFAOHX-UHFFFAOYSA-N
MW384.52 g/mol
LogP5.43
Rot. Bonds10

About 5,5-diphenyl-N-(4-pyridin-3-ylbutyl)pent-4-enamide

5,5-diphenyl-N-(4-pyridin-3-ylbutyl)pent-4-enamide (PubChem CID 14547223) has the molecular formula C26H28N2O and a molecular weight of 384.52 g/mol. Its IUPAC name is 5,5-diphenyl-N-(4-pyridin-3-ylbutyl)pent-4-enamide.

Molecular Properties

Compound Name5,5-diphenyl-N-(4-pyridin-3-ylbutyl)pent-4-enamide
PubChem CID14547223
Molecular FormulaC26H28N2O
Molecular Weight384.52 g/mol
Exact Mass384.22
IUPAC Name5,5-diphenyl-N-(4-pyridin-3-ylbutyl)pent-4-enamide
SMILESO=C(CCC=C(c1ccccc1)c1ccccc1)NCCCCc1cccnc1
InChIInChI=1S/C26H28N2O/c29-26(28-20-8-7-11-22-12-10-19-27-21-22)18-9-17-25(23-13-3-1-4-14-23)24-15-5-2-6-16-24/h1-6,10,12-17,19,21H,7-9,11,18,20H2,(H,28,29)
InChIKeyBZVZGWHNPFAOHX-UHFFFAOYSA-N
XLogP5.43
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.52
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5,5-diphenyl-N-(4-pyridin-3-ylbutyl)pent-4-enamide?
The IUPAC name of 5,5-diphenyl-N-(4-pyridin-3-ylbutyl)pent-4-enamide (CID 14547223) is 5,5-diphenyl-N-(4-pyridin-3-ylbutyl)pent-4-enamide.
What is the SMILES notation for 5,5-diphenyl-N-(4-pyridin-3-ylbutyl)pent-4-enamide?
The canonical SMILES for 5,5-diphenyl-N-(4-pyridin-3-ylbutyl)pent-4-enamide is O=C(CCC=C(c1ccccc1)c1ccccc1)NCCCCc1cccnc1.
What is the InChIKey of 5,5-diphenyl-N-(4-pyridin-3-ylbutyl)pent-4-enamide?
The InChIKey is BZVZGWHNPFAOHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O/c29-26(28-20-8-7-11-22-12-10-19-27-21-22)18-9-17-25(23-13-3-1-4-14-23)24-15-5-2-6-16-24/h1-6,10,12-17,19,21H,7-9,11,18,20H2,(H,28,29).
What are the key properties of 5,5-diphenyl-N-(4-pyridin-3-ylbutyl)pent-4-enamide?
5,5-diphenyl-N-(4-pyridin-3-ylbutyl)pent-4-enamide has a molecular weight of 384.52 g/mol, XLogP of 5.43, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-diphenyl-N-(4-pyridin-3-ylbutyl)pent-4-enamide is sourced from PubChem (CID 14547223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).