4-(1-hydroxy-3-methylbutyl)benzamide

C12H17NO2 — CID 118216553

IUPAC4-(1-hydroxy-3-methylbutyl)benzamide
SMILESCC(C)CC(O)c1ccc(C(N)=O)cc1
InChIInChI=1S/C12H17NO2/c1-8(2)7-11(14)9-3-5-10(6-4-9)12(13)15/h3-6,8,11,14H,7H2,1-2H3,(H2,13,15)
InChIKeyGAFKMUGYDMLCDM-UHFFFAOYSA-N
MW207.27 g/mol
LogP1.87
Rot. Bonds4

About 4-(1-hydroxy-3-methylbutyl)benzamide

4-(1-hydroxy-3-methylbutyl)benzamide (PubChem CID 118216553) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is 4-(1-hydroxy-3-methylbutyl)benzamide.

Molecular Properties

Compound Name4-(1-hydroxy-3-methylbutyl)benzamide
PubChem CID118216553
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name4-(1-hydroxy-3-methylbutyl)benzamide
SMILESCC(C)CC(O)c1ccc(C(N)=O)cc1
InChIInChI=1S/C12H17NO2/c1-8(2)7-11(14)9-3-5-10(6-4-9)12(13)15/h3-6,8,11,14H,7H2,1-2H3,(H2,13,15)
InChIKeyGAFKMUGYDMLCDM-UHFFFAOYSA-N
XLogP1.87
TPSA63.32 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 ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(1-hydroxypropyl)benzamide
CID 118219631
methyl 4-[(1S)-1-hydroxy-3-methylbutyl]benzoate
CID 124565441
4-(1-hydroxyethyl)benzamide
CID 22716490
4-[(1S,2S)-1-amino-2-hydroxypropyl]benzamide
CID 130706174
4-[(1R,2S)-1-amino-2-hydroxypropyl]benzamide
CID 131145263
1-(4-fluorophenyl)-3-methylbutan-1-ol
CID 60797473
4-(3-methylpentan-2-yl)benzamide
CID 126657369
4-[(2R)-4-aminobutan-2-yl]benzamide
CID 70592711
4-[bromo(hydroxy)methyl]benzamide
CID 142783477
4-(7-methyloctan-4-yl)benzamide
CID 143698949
4-[(2-hydroxy-4-methylpentyl)sulfamoyl]benzamide
CID 103834407
4-[[2-(4-aminophenyl)-2-hydroxyethyl]amino]benzamide
CID 60876825

Frequently Asked Questions

What is the IUPAC name of 4-(1-hydroxy-3-methylbutyl)benzamide?
The IUPAC name of 4-(1-hydroxy-3-methylbutyl)benzamide (CID 118216553) is 4-(1-hydroxy-3-methylbutyl)benzamide.
What is the SMILES notation for 4-(1-hydroxy-3-methylbutyl)benzamide?
The canonical SMILES for 4-(1-hydroxy-3-methylbutyl)benzamide is CC(C)CC(O)c1ccc(C(N)=O)cc1.
What is the InChIKey of 4-(1-hydroxy-3-methylbutyl)benzamide?
The InChIKey is GAFKMUGYDMLCDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-8(2)7-11(14)9-3-5-10(6-4-9)12(13)15/h3-6,8,11,14H,7H2,1-2H3,(H2,13,15).
What are the key properties of 4-(1-hydroxy-3-methylbutyl)benzamide?
4-(1-hydroxy-3-methylbutyl)benzamide has a molecular weight of 207.27 g/mol, XLogP of 1.87, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-hydroxy-3-methylbutyl)benzamide is sourced from PubChem (CID 118216553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).