N-(2-hydroxy-2-phenylpropyl)pent-4-enamide

C14H19NO2 — CID 56765333

IUPACN-(2-hydroxy-2-phenylpropyl)pent-4-enamide
SMILESC=CCCC(=O)NCC(C)(O)c1ccccc1
InChIInChI=1S/C14H19NO2/c1-3-4-10-13(16)15-11-14(2,17)12-8-6-5-7-9-12/h3,5-9,17H,1,4,10-11H2,2H3,(H,15,16)
InChIKeyDOBOKSXITXXSGM-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.98
Rot. Bonds6

About N-(2-hydroxy-2-phenylpropyl)pent-4-enamide

N-(2-hydroxy-2-phenylpropyl)pent-4-enamide (PubChem CID 56765333) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is N-(2-hydroxy-2-phenylpropyl)pent-4-enamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-phenylpropyl)pent-4-enamide
PubChem CID56765333
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC NameN-(2-hydroxy-2-phenylpropyl)pent-4-enamide
SMILESC=CCCC(=O)NCC(C)(O)c1ccccc1
InChIInChI=1S/C14H19NO2/c1-3-4-10-13(16)15-11-14(2,17)12-8-6-5-7-9-12/h3,5-9,17H,1,4,10-11H2,2H3,(H,15,16)
InChIKeyDOBOKSXITXXSGM-UHFFFAOYSA-N
XLogP1.98
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-phenylpropyl)pent-4-enamide?
The IUPAC name of N-(2-hydroxy-2-phenylpropyl)pent-4-enamide (CID 56765333) is N-(2-hydroxy-2-phenylpropyl)pent-4-enamide.
What is the SMILES notation for N-(2-hydroxy-2-phenylpropyl)pent-4-enamide?
The canonical SMILES for N-(2-hydroxy-2-phenylpropyl)pent-4-enamide is C=CCCC(=O)NCC(C)(O)c1ccccc1.
What is the InChIKey of N-(2-hydroxy-2-phenylpropyl)pent-4-enamide?
The InChIKey is DOBOKSXITXXSGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-3-4-10-13(16)15-11-14(2,17)12-8-6-5-7-9-12/h3,5-9,17H,1,4,10-11H2,2H3,(H,15,16).
What are the key properties of N-(2-hydroxy-2-phenylpropyl)pent-4-enamide?
N-(2-hydroxy-2-phenylpropyl)pent-4-enamide has a molecular weight of 233.31 g/mol, XLogP of 1.98, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-phenylpropyl)pent-4-enamide is sourced from PubChem (CID 56765333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).