N-[2-(4-hydroxybutyl)phenyl]acetamide

C12H17NO2 — CID 105460610

IUPACN-[2-(4-hydroxybutyl)phenyl]acetamide
SMILESCC(=O)Nc1ccccc1CCCCO
InChIInChI=1S/C12H17NO2/c1-10(15)13-12-8-3-2-6-11(12)7-4-5-9-14/h2-3,6,8,14H,4-5,7,9H2,1H3,(H,13,15)
InChIKeyWSVUBPFBRZUTGN-UHFFFAOYSA-N
MW207.27 g/mol
LogP1.96
Rot. Bonds5

About N-[2-(4-hydroxybutyl)phenyl]acetamide

N-[2-(4-hydroxybutyl)phenyl]acetamide (PubChem CID 105460610) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is N-[2-(4-hydroxybutyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[2-(4-hydroxybutyl)phenyl]acetamide
PubChem CID105460610
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC NameN-[2-(4-hydroxybutyl)phenyl]acetamide
SMILESCC(=O)Nc1ccccc1CCCCO
InChIInChI=1S/C12H17NO2/c1-10(15)13-12-8-3-2-6-11(12)7-4-5-9-14/h2-3,6,8,14H,4-5,7,9H2,1H3,(H,13,15)
InChIKeyWSVUBPFBRZUTGN-UHFFFAOYSA-N
XLogP1.96
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 51.96
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

ethane;N-(2-propylphenyl)acetamide
CID 142804217
N-[2-(hydroxymethyl)phenyl]acetamide;hydrochloride
CID 142950008
ethane;N-[2-(hydroxymethyl)phenyl]acetamide
CID 91162619
N-[4-fluoro-2-(4-hydroxybutyl)phenyl]acetamide
CID 105482989
2,2,2-trifluoro-N-[2-(3-hydroxypropyl)phenyl]acetamide
CID 88546712
tert-butyl N-[2-(3-hydroxypropyl)phenyl]carbamate
CID 23021010
1-[2-(4-hydroxybutyl)phenyl]ethanone
CID 14995224
N-[2-(2-methylprop-2-enyl)phenyl]acetamide
CID 102600118
(2-heptadecylphenyl)carbamic acid
CID 71374202
(2-pentylphenyl)carbamothioic S-acid
CID 87699926
2-(2-acetamidophenyl)ethanethioic S-acid
CID 21276599
[2-(4-aminobutyl)phenyl]urea
CID 117296509

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-hydroxybutyl)phenyl]acetamide?
The IUPAC name of N-[2-(4-hydroxybutyl)phenyl]acetamide (CID 105460610) is N-[2-(4-hydroxybutyl)phenyl]acetamide.
What is the SMILES notation for N-[2-(4-hydroxybutyl)phenyl]acetamide?
The canonical SMILES for N-[2-(4-hydroxybutyl)phenyl]acetamide is CC(=O)Nc1ccccc1CCCCO.
What is the InChIKey of N-[2-(4-hydroxybutyl)phenyl]acetamide?
The InChIKey is WSVUBPFBRZUTGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-10(15)13-12-8-3-2-6-11(12)7-4-5-9-14/h2-3,6,8,14H,4-5,7,9H2,1H3,(H,13,15).
What are the key properties of N-[2-(4-hydroxybutyl)phenyl]acetamide?
N-[2-(4-hydroxybutyl)phenyl]acetamide has a molecular weight of 207.27 g/mol, XLogP of 1.96, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-hydroxybutyl)phenyl]acetamide is sourced from PubChem (CID 105460610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).