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

C14H17NO3 — CID 115647144

IUPACN-hex-5-yn-3-yl-2-hydroxy-3-methoxybenzamide
SMILESC#CCC(CC)NC(=O)c1cccc(OC)c1O
InChIInChI=1S/C14H17NO3/c1-4-7-10(5-2)15-14(17)11-8-6-9-12(18-3)13(11)16/h1,6,8-10,16H,5,7H2,2-3H3,(H,15,17)
InChIKeyWGNNSRSUMWZQSV-UHFFFAOYSA-N
MW247.29 g/mol
LogP1.93
Rot. Bonds5

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

N-hex-5-yn-3-yl-2-hydroxy-3-methoxybenzamide (PubChem CID 115647144) has the molecular formula C14H17NO3 and a molecular weight of 247.29 g/mol. Its IUPAC name is N-hex-5-yn-3-yl-2-hydroxy-3-methoxybenzamide.

Molecular Properties

Compound NameN-hex-5-yn-3-yl-2-hydroxy-3-methoxybenzamide
PubChem CID115647144
Molecular FormulaC14H17NO3
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC NameN-hex-5-yn-3-yl-2-hydroxy-3-methoxybenzamide
SMILESC#CCC(CC)NC(=O)c1cccc(OC)c1O
InChIInChI=1S/C14H17NO3/c1-4-7-10(5-2)15-14(17)11-8-6-9-12(18-3)13(11)16/h1,6,8-10,16H,5,7H2,2-3H3,(H,15,17)
InChIKeyWGNNSRSUMWZQSV-UHFFFAOYSA-N
XLogP1.93
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-methylbenzamide
CID 113241222
2-amino-N-hex-5-yn-3-ylbenzamide
CID 115976433
2-[2-(hex-5-yn-3-ylcarbamoyl)phenyl]acetic acid
CID 114199843
N-hex-5-yn-3-yl-3-methoxythiophene-2-carboxamide
CID 115647257
2-chloro-3-fluoro-N-hex-5-yn-3-ylbenzamide
CID 115660004
N-(1-bromo-3-methoxypropan-2-yl)-2-hydroxy-3-methoxybenzamide
CID 106184198
N-(1-amino-4-methylpentan-2-yl)-2-hydroxy-3-methoxybenzamide
CID 63755983
N-(1-amino-1-sulfanylidenebutan-2-yl)-2-hydroxy-3-methoxybenzamide
CID 61121088
3-hydroxy-2-[(2-hydroxy-3-methoxybenzoyl)amino]butanoic acid
CID 24697724
[2-oxo-2-(pentan-3-ylamino)ethyl] 2-hydroxy-3-methoxybenzoate
CID 18075722
2-amino-3-methoxy-N-pent-4-yn-2-ylbenzamide
CID 113476878
N-(1-aminobutan-2-yl)-2-methoxybenzamide
CID 63753352

Frequently Asked Questions

What is the IUPAC name of N-hex-5-yn-3-yl-2-hydroxy-3-methoxybenzamide?
The IUPAC name of N-hex-5-yn-3-yl-2-hydroxy-3-methoxybenzamide (CID 115647144) is N-hex-5-yn-3-yl-2-hydroxy-3-methoxybenzamide.
What is the SMILES notation for N-hex-5-yn-3-yl-2-hydroxy-3-methoxybenzamide?
The canonical SMILES for N-hex-5-yn-3-yl-2-hydroxy-3-methoxybenzamide is C#CCC(CC)NC(=O)c1cccc(OC)c1O.
What is the InChIKey of N-hex-5-yn-3-yl-2-hydroxy-3-methoxybenzamide?
The InChIKey is WGNNSRSUMWZQSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3/c1-4-7-10(5-2)15-14(17)11-8-6-9-12(18-3)13(11)16/h1,6,8-10,16H,5,7H2,2-3H3,(H,15,17).
What are the key properties of N-hex-5-yn-3-yl-2-hydroxy-3-methoxybenzamide?
N-hex-5-yn-3-yl-2-hydroxy-3-methoxybenzamide has a molecular weight of 247.29 g/mol, XLogP of 1.93, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-hex-5-yn-3-yl-2-hydroxy-3-methoxybenzamide is sourced from PubChem (CID 115647144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).