N-[2-(1-hydroxybutyl)phenyl]acetamide

C12H17NO2 — CID 19836950

IUPACN-[2-(1-hydroxybutyl)phenyl]acetamide
SMILESCCCC(O)c1ccccc1NC(C)=O
InChIInChI=1S/C12H17NO2/c1-3-6-12(15)10-7-4-5-8-11(10)13-9(2)14/h4-5,7-8,12,15H,3,6H2,1-2H3,(H,13,14)
InChIKeyRUEBTGXVOYYNPL-UHFFFAOYSA-N
MW207.27 g/mol
LogP2.48
Rot. Bonds4

About N-[2-(1-hydroxybutyl)phenyl]acetamide

N-[2-(1-hydroxybutyl)phenyl]acetamide (PubChem CID 19836950) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is N-[2-(1-hydroxybutyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[2-(1-hydroxybutyl)phenyl]acetamide
PubChem CID19836950
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC NameN-[2-(1-hydroxybutyl)phenyl]acetamide
SMILESCCCC(O)c1ccccc1NC(C)=O
InChIInChI=1S/C12H17NO2/c1-3-6-12(15)10-7-4-5-8-11(10)13-9(2)14/h4-5,7-8,12,15H,3,6H2,1-2H3,(H,13,14)
InChIKeyRUEBTGXVOYYNPL-UHFFFAOYSA-N
XLogP2.48
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(1-hydroxybutylamino)phenyl]butan-1-ol
CID 141441967
N-[2-[(2R)-butan-2-yl]phenyl]acetamide
CID 959734
methoxyethane;N-(2-propan-2-ylphenyl)acetamide
CID 161222349
N-[2-[1,2-dihydroxy-4-(methylamino)butyl]phenyl]acetamide
CID 171890704
N-[2-(1-hydroxypropyl)phenyl]benzamide
CID 5304891
S-[4-(2-acetamidophenyl)-3,4-dihydroxybutyl] ethanethioate
CID 171876371
N-[2-(1-methoxyethyl)phenyl]acetamide
CID 56609404
2-(2-acetamidophenyl)-2-aminoacetic acid
CID 21317152
N-[2-(1-hydroxyethyl)phenyl]butanamide
CID 43508507
2-bromo-N-[2-[(1S)-1-hydroxypropyl]phenyl]benzamide
CID 7337857
methyl 2-(2-acetamidophenyl)propanoate
CID 15064955
N-(2-acetamidophenyl)propanamide
CID 885895

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-hydroxybutyl)phenyl]acetamide?
The IUPAC name of N-[2-(1-hydroxybutyl)phenyl]acetamide (CID 19836950) is N-[2-(1-hydroxybutyl)phenyl]acetamide.
What is the SMILES notation for N-[2-(1-hydroxybutyl)phenyl]acetamide?
The canonical SMILES for N-[2-(1-hydroxybutyl)phenyl]acetamide is CCCC(O)c1ccccc1NC(C)=O.
What is the InChIKey of N-[2-(1-hydroxybutyl)phenyl]acetamide?
The InChIKey is RUEBTGXVOYYNPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-3-6-12(15)10-7-4-5-8-11(10)13-9(2)14/h4-5,7-8,12,15H,3,6H2,1-2H3,(H,13,14).
What are the key properties of N-[2-(1-hydroxybutyl)phenyl]acetamide?
N-[2-(1-hydroxybutyl)phenyl]acetamide has a molecular weight of 207.27 g/mol, XLogP of 2.48, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-hydroxybutyl)phenyl]acetamide is sourced from PubChem (CID 19836950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).