N-hex-5-yn-3-yl-2-hydroxy-3-methylbenzamide

C14H17NO2 — CID 113241222

IUPACN-hex-5-yn-3-yl-2-hydroxy-3-methylbenzamide
SMILESC#CCC(CC)NC(=O)c1cccc(C)c1O
InChIInChI=1S/C14H17NO2/c1-4-7-11(5-2)15-14(17)12-9-6-8-10(3)13(12)16/h1,6,8-9,11,16H,5,7H2,2-3H3,(H,15,17)
InChIKeyONQDTCPHIBJAIC-UHFFFAOYSA-N
MW231.30 g/mol
LogP2.23
Rot. Bonds4

About N-hex-5-yn-3-yl-2-hydroxy-3-methylbenzamide

N-hex-5-yn-3-yl-2-hydroxy-3-methylbenzamide (PubChem CID 113241222) has the molecular formula C14H17NO2 and a molecular weight of 231.30 g/mol. Its IUPAC name is N-hex-5-yn-3-yl-2-hydroxy-3-methylbenzamide.

Molecular Properties

Compound NameN-hex-5-yn-3-yl-2-hydroxy-3-methylbenzamide
PubChem CID113241222
Molecular FormulaC14H17NO2
Molecular Weight231.30 g/mol
Exact Mass231.13
IUPAC NameN-hex-5-yn-3-yl-2-hydroxy-3-methylbenzamide
SMILESC#CCC(CC)NC(=O)c1cccc(C)c1O
InChIInChI=1S/C14H17NO2/c1-4-7-11(5-2)15-14(17)12-9-6-8-10(3)13(12)16/h1,6,8-9,11,16H,5,7H2,2-3H3,(H,15,17)
InChIKeyONQDTCPHIBJAIC-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 ≤ 500231.30
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

N-hex-5-yn-3-yl-2-hydroxy-3-methoxybenzamide
CID 115647144
2-amino-N-hex-5-yn-3-ylbenzamide
CID 115976433
2-[2-(hex-5-yn-3-ylcarbamoyl)phenyl]acetic acid
CID 114199843
2-chloro-3-fluoro-N-hex-5-yn-3-ylbenzamide
CID 115660004
5-chloro-N-hex-5-yn-3-yl-2-methylbenzamide
CID 115761078
N-butan-2-yl-2-hydroxy-3-methylbenzamide
CID 43176510
N-[(2R)-1-cyanobutan-2-yl]-2,3-dihydroxybenzamide
CID 124571494
2,4,5-trifluoro-N-hex-5-yn-3-yl-3-hydroxybenzamide
CID 104580561
2-amino-3-methyl-N-pentan-3-ylbenzamide
CID 16772224
N-hex-5-yn-3-yl-3,5-dimethylbenzamide
CID 115647283
3-chloro-N-hex-5-yn-3-yl-4-methylbenzamide
CID 115647116
N-hex-5-yn-3-ylquinoline-4-carboxamide
CID 113241212

Frequently Asked Questions

What is the IUPAC name of N-hex-5-yn-3-yl-2-hydroxy-3-methylbenzamide?
The IUPAC name of N-hex-5-yn-3-yl-2-hydroxy-3-methylbenzamide (CID 113241222) is N-hex-5-yn-3-yl-2-hydroxy-3-methylbenzamide.
What is the SMILES notation for N-hex-5-yn-3-yl-2-hydroxy-3-methylbenzamide?
The canonical SMILES for N-hex-5-yn-3-yl-2-hydroxy-3-methylbenzamide is C#CCC(CC)NC(=O)c1cccc(C)c1O.
What is the InChIKey of N-hex-5-yn-3-yl-2-hydroxy-3-methylbenzamide?
The InChIKey is ONQDTCPHIBJAIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2/c1-4-7-11(5-2)15-14(17)12-9-6-8-10(3)13(12)16/h1,6,8-9,11,16H,5,7H2,2-3H3,(H,15,17).
What are the key properties of N-hex-5-yn-3-yl-2-hydroxy-3-methylbenzamide?
N-hex-5-yn-3-yl-2-hydroxy-3-methylbenzamide has a molecular weight of 231.30 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-5-yn-3-yl-2-hydroxy-3-methylbenzamide is sourced from PubChem (CID 113241222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).