N-(6-hydroxyhexyl)-5-oxo-5-phenylpentanamide

C17H25NO3 — CID 108807536

IUPACN-(6-hydroxyhexyl)-5-oxo-5-phenylpentanamide
SMILESO=C(CCCC(=O)c1ccccc1)NCCCCCCO
InChIInChI=1S/C17H25NO3/c19-14-7-2-1-6-13-18-17(21)12-8-11-16(20)15-9-4-3-5-10-15/h3-5,9-10,19H,1-2,6-8,11-14H2,(H,18,21)
InChIKeyQCPZFZFZQPZZCT-UHFFFAOYSA-N
MW291.39 g/mol
LogP2.71
Rot. Bonds11

About N-(6-hydroxyhexyl)-5-oxo-5-phenylpentanamide

N-(6-hydroxyhexyl)-5-oxo-5-phenylpentanamide (PubChem CID 108807536) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is N-(6-hydroxyhexyl)-5-oxo-5-phenylpentanamide.

Molecular Properties

Compound NameN-(6-hydroxyhexyl)-5-oxo-5-phenylpentanamide
PubChem CID108807536
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC NameN-(6-hydroxyhexyl)-5-oxo-5-phenylpentanamide
SMILESO=C(CCCC(=O)c1ccccc1)NCCCCCCO
InChIInChI=1S/C17H25NO3/c19-14-7-2-1-6-13-18-17(21)12-8-11-16(20)15-9-4-3-5-10-15/h3-5,9-10,19H,1-2,6-8,11-14H2,(H,18,21)
InChIKeyQCPZFZFZQPZZCT-UHFFFAOYSA-N
XLogP2.71
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[6-(5-hydroxypentylamino)-6-oxohexyl]benzamide
CID 110839273
3-[(5-oxo-5-phenylpentanoyl)amino]propanoic acid
CID 108796142
N-(3-acetamidopropyl)-5-oxo-5-phenylpentanamide
CID 110354627
12-hydroxy-1-phenyldodecan-1-one
CID 11482778
N-[2-(2-hydroxyphenyl)ethyl]-5-oxo-5-phenylpentanamide
CID 110614826
N-(6-hydroxyhexyl)-4-phenylsulfanylbutanamide
CID 103919353
4-[[(5-oxo-5-phenylpentanoyl)amino]methyl]benzoic acid
CID 108796178
[3-(5-hydroxypentanoylamino)propylamino] benzoate
CID 126587234
S-[2-oxo-2-[(8-oxo-8-phenyloctyl)amino]ethyl] ethanethioate
CID 11645714
1,15-diphenylpentadecane-1,15-dione
CID 159981687
2-(4-hydroxybutylamino)-1-phenylethanone
CID 15748500
4-hydroxy-N-[4-(4-hydroxybutanoylamino)butyl]butanamide
CID 6611551

Frequently Asked Questions

What is the IUPAC name of N-(6-hydroxyhexyl)-5-oxo-5-phenylpentanamide?
The IUPAC name of N-(6-hydroxyhexyl)-5-oxo-5-phenylpentanamide (CID 108807536) is N-(6-hydroxyhexyl)-5-oxo-5-phenylpentanamide.
What is the SMILES notation for N-(6-hydroxyhexyl)-5-oxo-5-phenylpentanamide?
The canonical SMILES for N-(6-hydroxyhexyl)-5-oxo-5-phenylpentanamide is O=C(CCCC(=O)c1ccccc1)NCCCCCCO.
What is the InChIKey of N-(6-hydroxyhexyl)-5-oxo-5-phenylpentanamide?
The InChIKey is QCPZFZFZQPZZCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO3/c19-14-7-2-1-6-13-18-17(21)12-8-11-16(20)15-9-4-3-5-10-15/h3-5,9-10,19H,1-2,6-8,11-14H2,(H,18,21).
What are the key properties of N-(6-hydroxyhexyl)-5-oxo-5-phenylpentanamide?
N-(6-hydroxyhexyl)-5-oxo-5-phenylpentanamide has a molecular weight of 291.39 g/mol, XLogP of 2.71, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-hydroxyhexyl)-5-oxo-5-phenylpentanamide is sourced from PubChem (CID 108807536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).