N-hexan-3-yl-3-hydroxybenzamide

C13H19NO2 — CID 62118966

IUPACN-hexan-3-yl-3-hydroxybenzamide
SMILESCCCC(CC)NC(=O)c1cccc(O)c1
InChIInChI=1S/C13H19NO2/c1-3-6-11(4-2)14-13(16)10-7-5-8-12(15)9-10/h5,7-9,11,15H,3-4,6H2,1-2H3,(H,14,16)
InChIKeyYOYOHHYUHSCENX-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.70
Rot. Bonds5

About N-hexan-3-yl-3-hydroxybenzamide

N-hexan-3-yl-3-hydroxybenzamide (PubChem CID 62118966) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is N-hexan-3-yl-3-hydroxybenzamide.

Molecular Properties

Compound NameN-hexan-3-yl-3-hydroxybenzamide
PubChem CID62118966
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC NameN-hexan-3-yl-3-hydroxybenzamide
SMILESCCCC(CC)NC(=O)c1cccc(O)c1
InChIInChI=1S/C13H19NO2/c1-3-6-11(4-2)14-13(16)10-7-5-8-12(15)9-10/h5,7-9,11,15H,3-4,6H2,1-2H3,(H,14,16)
InChIKeyYOYOHHYUHSCENX-UHFFFAOYSA-N
XLogP2.70
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-hexan-3-yl-3-hydroxy-4-methylbenzamide
CID 62118967
3-chloro-N-hexan-3-yl-4-hydroxybenzamide
CID 62046987
N-hexan-3-yl-3-(4-hydroxybut-1-ynyl)benzamide
CID 62093118
3-hydroxy-N-(1-phenylpropyl)benzamide
CID 55057527
N-hexan-3-yl-3-hydroxy-4-methoxybenzamide
CID 79672456
N-hexan-3-yl-2-hydroxybenzamide
CID 62046226
4-amino-N-hexan-3-ylbenzamide
CID 62094734
1-N,3-N,5-N-tri(heptan-4-yl)benzene-1,3,5-tricarboxamide
CID 70884493
N-ethyl-3-hydroxybenzamide
CID 13175248
N-[(2S)-1-(3-hydroxyphenyl)hexan-2-yl]benzamide
CID 175696800
(2R)-2-[(3-hydroxybenzoyl)amino]propanoic acid
CID 20848017
3-hydroxy-N-(2-hydroxybutyl)benzamide
CID 115577642

Frequently Asked Questions

What is the IUPAC name of N-hexan-3-yl-3-hydroxybenzamide?
The IUPAC name of N-hexan-3-yl-3-hydroxybenzamide (CID 62118966) is N-hexan-3-yl-3-hydroxybenzamide.
What is the SMILES notation for N-hexan-3-yl-3-hydroxybenzamide?
The canonical SMILES for N-hexan-3-yl-3-hydroxybenzamide is CCCC(CC)NC(=O)c1cccc(O)c1.
What is the InChIKey of N-hexan-3-yl-3-hydroxybenzamide?
The InChIKey is YOYOHHYUHSCENX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-3-6-11(4-2)14-13(16)10-7-5-8-12(15)9-10/h5,7-9,11,15H,3-4,6H2,1-2H3,(H,14,16).
What are the key properties of N-hexan-3-yl-3-hydroxybenzamide?
N-hexan-3-yl-3-hydroxybenzamide has a molecular weight of 221.30 g/mol, XLogP of 2.70, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexan-3-yl-3-hydroxybenzamide is sourced from PubChem (CID 62118966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).