2-(4-butylphenyl)-N-(4-hydroxybutyl)acetamide

C16H25NO2 — CID 106843310

IUPAC2-(4-butylphenyl)-N-(4-hydroxybutyl)acetamide
SMILESCCCCc1ccc(CC(=O)NCCCCO)cc1
InChIInChI=1S/C16H25NO2/c1-2-3-6-14-7-9-15(10-8-14)13-16(19)17-11-4-5-12-18/h7-10,18H,2-6,11-13H2,1H3,(H,17,19)
InChIKeyHDGPBTNQVYJNRO-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.46
Rot. Bonds9

About 2-(4-butylphenyl)-N-(4-hydroxybutyl)acetamide

2-(4-butylphenyl)-N-(4-hydroxybutyl)acetamide (PubChem CID 106843310) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 2-(4-butylphenyl)-N-(4-hydroxybutyl)acetamide.

Molecular Properties

Compound Name2-(4-butylphenyl)-N-(4-hydroxybutyl)acetamide
PubChem CID106843310
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name2-(4-butylphenyl)-N-(4-hydroxybutyl)acetamide
SMILESCCCCc1ccc(CC(=O)NCCCCO)cc1
InChIInChI=1S/C16H25NO2/c1-2-3-6-14-7-9-15(10-8-14)13-16(19)17-11-4-5-12-18/h7-10,18H,2-6,11-13H2,1H3,(H,17,19)
InChIKeyHDGPBTNQVYJNRO-UHFFFAOYSA-N
XLogP2.46
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-dodecyl-2-(4-hydroxyphenyl)acetamide
CID 19597088
2-(4-hydroxyphenyl)-N-octylacetamide
CID 13309827
N-(3-aminobutyl)-2-(4-butylphenyl)acetamide;hydrochloride
CID 119499301
2-(4-aminophenyl)-N-heptylacetamide
CID 54795787
2-(4-butylphenyl)-N-(2-methylpropyl)acetamide
CID 60656279
2-(4-butylphenyl)-N-(3-hydroxy-2-methylpropyl)acetamide
CID 65037146
2-[2-[[2-(4-butylphenyl)acetyl]amino]ethylsulfanyl]acetic acid
CID 119242608
2-(4-fluorophenyl)-N-[4-(4-fluorophenyl)butyl]acetamide
CID 110288734
2-(4-butylphenyl)-N-(2-chloroprop-2-enyl)acetamide
CID 113238577
5-(4-butylanilino)pentan-1-ol
CID 62228069
N-hexyl-2-(4-methoxyphenyl)acetamide
CID 3649296
2-(4-butylphenyl)-N-(3-piperazin-1-ylpropyl)acetamide;hydrochloride
CID 119394251

Frequently Asked Questions

What is the IUPAC name of 2-(4-butylphenyl)-N-(4-hydroxybutyl)acetamide?
The IUPAC name of 2-(4-butylphenyl)-N-(4-hydroxybutyl)acetamide (CID 106843310) is 2-(4-butylphenyl)-N-(4-hydroxybutyl)acetamide.
What is the SMILES notation for 2-(4-butylphenyl)-N-(4-hydroxybutyl)acetamide?
The canonical SMILES for 2-(4-butylphenyl)-N-(4-hydroxybutyl)acetamide is CCCCc1ccc(CC(=O)NCCCCO)cc1.
What is the InChIKey of 2-(4-butylphenyl)-N-(4-hydroxybutyl)acetamide?
The InChIKey is HDGPBTNQVYJNRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-2-3-6-14-7-9-15(10-8-14)13-16(19)17-11-4-5-12-18/h7-10,18H,2-6,11-13H2,1H3,(H,17,19).
What are the key properties of 2-(4-butylphenyl)-N-(4-hydroxybutyl)acetamide?
2-(4-butylphenyl)-N-(4-hydroxybutyl)acetamide has a molecular weight of 263.38 g/mol, XLogP of 2.46, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-butylphenyl)-N-(4-hydroxybutyl)acetamide is sourced from PubChem (CID 106843310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).