N-hex-1-yn-3-yl-2-hydroxy-4-methylbenzamide

C14H17NO2 — CID 103528937

IUPACN-hex-1-yn-3-yl-2-hydroxy-4-methylbenzamide
SMILESC#CC(CCC)NC(=O)c1ccc(C)cc1O
InChIInChI=1S/C14H17NO2/c1-4-6-11(5-2)15-14(17)12-8-7-10(3)9-13(12)16/h2,7-9,11,16H,4,6H2,1,3H3,(H,15,17)
InChIKeyQGQKIXLDOSXURJ-UHFFFAOYSA-N
MW231.29 g/mol
LogP2.23
Rot. Bonds4

About N-hex-1-yn-3-yl-2-hydroxy-4-methylbenzamide

N-hex-1-yn-3-yl-2-hydroxy-4-methylbenzamide (PubChem CID 103528937) has the molecular formula C14H17NO2 and a molecular weight of 231.29 g/mol. Its IUPAC name is N-hex-1-yn-3-yl-2-hydroxy-4-methylbenzamide.

Molecular Properties

Compound NameN-hex-1-yn-3-yl-2-hydroxy-4-methylbenzamide
PubChem CID103528937
Molecular FormulaC14H17NO2
Molecular Weight231.29 g/mol
Exact Mass231.13
IUPAC NameN-hex-1-yn-3-yl-2-hydroxy-4-methylbenzamide
SMILESC#CC(CCC)NC(=O)c1ccc(C)cc1O
InChIInChI=1S/C14H17NO2/c1-4-6-11(5-2)15-14(17)12-8-7-10(3)9-13(12)16/h2,7-9,11,16H,4,6H2,1,3H3,(H,15,17)
InChIKeyQGQKIXLDOSXURJ-UHFFFAOYSA-N
XLogP2.23
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-hex-1-yn-3-yl-2-methylbenzamide
CID 106223497
5-fluoro-N-hex-1-yn-3-yl-2-hydroxybenzamide
CID 103529109
2,4-difluoro-N-hex-1-yn-3-ylbenzamide
CID 103528717
4-chloro-2-fluoro-N-hex-1-yn-3-ylbenzamide
CID 103528497
N-hex-1-yn-3-yl-1-hydroxynaphthalene-2-carboxamide
CID 106228601
N-hex-1-yn-3-yl-5-methylpyridine-3-carboxamide
CID 103529100
4-bromo-N-hex-1-yn-3-yl-2-sulfanylbenzamide
CID 114161252
N-hex-1-yn-3-yl-2-methyl-5-sulfamoylbenzamide
CID 103528408
2-fluoro-N-hex-1-yn-3-yl-3-methylbenzamide
CID 103528693
N-hex-1-yn-3-yl-4-methylthiophene-3-carboxamide
CID 103529071
2-amino-4,5-difluoro-N-hex-1-yn-3-ylbenzamide
CID 106223518
3-amino-N-hex-1-yn-3-yl-5-methylbenzamide
CID 114160355

Frequently Asked Questions

What is the IUPAC name of N-hex-1-yn-3-yl-2-hydroxy-4-methylbenzamide?
The IUPAC name of N-hex-1-yn-3-yl-2-hydroxy-4-methylbenzamide (CID 103528937) is N-hex-1-yn-3-yl-2-hydroxy-4-methylbenzamide.
What is the SMILES notation for N-hex-1-yn-3-yl-2-hydroxy-4-methylbenzamide?
The canonical SMILES for N-hex-1-yn-3-yl-2-hydroxy-4-methylbenzamide is C#CC(CCC)NC(=O)c1ccc(C)cc1O.
What is the InChIKey of N-hex-1-yn-3-yl-2-hydroxy-4-methylbenzamide?
The InChIKey is QGQKIXLDOSXURJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2/c1-4-6-11(5-2)15-14(17)12-8-7-10(3)9-13(12)16/h2,7-9,11,16H,4,6H2,1,3H3,(H,15,17).
What are the key properties of N-hex-1-yn-3-yl-2-hydroxy-4-methylbenzamide?
N-hex-1-yn-3-yl-2-hydroxy-4-methylbenzamide has a molecular weight of 231.29 g/mol, XLogP of 2.23, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-hex-1-yn-3-yl-2-hydroxy-4-methylbenzamide is sourced from PubChem (CID 103528937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).