N-(4-hydroxybutyl)-5-phenylpent-3-enamide

C15H21NO2 — CID 126824546

IUPACN-(4-hydroxybutyl)-5-phenylpent-3-enamide
SMILESO=C(CC=CCc1ccccc1)NCCCCO
InChIInChI=1S/C15H21NO2/c17-13-7-6-12-16-15(18)11-5-4-10-14-8-2-1-3-9-14/h1-5,8-9,17H,6-7,10-13H2,(H,16,18)
InChIKeyTUWJLTMFRHDZOF-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.06
Rot. Bonds8

About N-(4-hydroxybutyl)-5-phenylpent-3-enamide

N-(4-hydroxybutyl)-5-phenylpent-3-enamide (PubChem CID 126824546) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is N-(4-hydroxybutyl)-5-phenylpent-3-enamide.

Molecular Properties

Compound NameN-(4-hydroxybutyl)-5-phenylpent-3-enamide
PubChem CID126824546
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC NameN-(4-hydroxybutyl)-5-phenylpent-3-enamide
SMILESO=C(CC=CCc1ccccc1)NCCCCO
InChIInChI=1S/C15H21NO2/c17-13-7-6-12-16-15(18)11-5-4-10-14-8-2-1-3-9-14/h1-5,8-9,17H,6-7,10-13H2,(H,16,18)
InChIKeyTUWJLTMFRHDZOF-UHFFFAOYSA-N
XLogP2.06
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-benzyl-3-(5-hydroxypentyl)urea
CID 108871315
N-(6-hydroxyhexyl)-5-oxo-5-phenylpentanamide
CID 108807536
N-[6-(5-hydroxypentylamino)-6-oxohexyl]benzamide
CID 110839273
N-(6-hydroxyhexyl)-4-phenylsulfanylbutanamide
CID 103919353
N-(6-hydroxyhexyl)-N'-phenyloxamide
CID 50850958
N-butyl-4-phenylbut-2-enamide
CID 154634439
N-(9-hydroxynonyl)but-3-enamide
CID 171841682
N-(5-hydroxypentyl)but-3-enamide
CID 107318491
[3-(5-hydroxypentanoylamino)propylamino] benzoate
CID 126587234
1-benzyl-3-(3-hydroxypropyl)urea
CID 11298735
2-anilino-N-(3-hydroxypropyl)acetamide
CID 60861419
(E)-N-benzyloct-3-enamide
CID 14875642

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxybutyl)-5-phenylpent-3-enamide?
The IUPAC name of N-(4-hydroxybutyl)-5-phenylpent-3-enamide (CID 126824546) is N-(4-hydroxybutyl)-5-phenylpent-3-enamide.
What is the SMILES notation for N-(4-hydroxybutyl)-5-phenylpent-3-enamide?
The canonical SMILES for N-(4-hydroxybutyl)-5-phenylpent-3-enamide is O=C(CC=CCc1ccccc1)NCCCCO.
What is the InChIKey of N-(4-hydroxybutyl)-5-phenylpent-3-enamide?
The InChIKey is TUWJLTMFRHDZOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c17-13-7-6-12-16-15(18)11-5-4-10-14-8-2-1-3-9-14/h1-5,8-9,17H,6-7,10-13H2,(H,16,18).
What are the key properties of N-(4-hydroxybutyl)-5-phenylpent-3-enamide?
N-(4-hydroxybutyl)-5-phenylpent-3-enamide has a molecular weight of 247.34 g/mol, XLogP of 2.06, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxybutyl)-5-phenylpent-3-enamide is sourced from PubChem (CID 126824546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).