N-hex-1-yn-3-yl-1-hydroxynaphthalene-2-carboxamide

C17H17NO2 — CID 106228601

IUPACN-hex-1-yn-3-yl-1-hydroxynaphthalene-2-carboxamide
SMILESC#CC(CCC)NC(=O)c1ccc2ccccc2c1O
InChIInChI=1S/C17H17NO2/c1-3-7-13(4-2)18-17(20)15-11-10-12-8-5-6-9-14(12)16(15)19/h2,5-6,8-11,13,19H,3,7H2,1H3,(H,18,20)
InChIKeyACSZJIAOLWADBB-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.08
Rot. Bonds4

About N-hex-1-yn-3-yl-1-hydroxynaphthalene-2-carboxamide

N-hex-1-yn-3-yl-1-hydroxynaphthalene-2-carboxamide (PubChem CID 106228601) has the molecular formula C17H17NO2 and a molecular weight of 267.33 g/mol. Its IUPAC name is N-hex-1-yn-3-yl-1-hydroxynaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-hex-1-yn-3-yl-1-hydroxynaphthalene-2-carboxamide
PubChem CID106228601
Molecular FormulaC17H17NO2
Molecular Weight267.33 g/mol
Exact Mass267.13
IUPAC NameN-hex-1-yn-3-yl-1-hydroxynaphthalene-2-carboxamide
SMILESC#CC(CCC)NC(=O)c1ccc2ccccc2c1O
InChIInChI=1S/C17H17NO2/c1-3-7-13(4-2)18-17(20)15-11-10-12-8-5-6-9-14(12)16(15)19/h2,5-6,8-11,13,19H,3,7H2,1H3,(H,18,20)
InChIKeyACSZJIAOLWADBB-UHFFFAOYSA-N
XLogP3.08
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.08
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-1-yn-3-yl-2-hydroxy-4-methylbenzamide
CID 103528937
2-[(1-hydroxynaphthalene-2-carbonyl)amino]butanoic acid
CID 43469598
2,4-difluoro-N-hex-1-yn-3-ylbenzamide
CID 103528717
N-hex-1-yn-3-yl-2-naphthalen-2-ylacetamide
CID 103528710
2-fluoro-N-hex-1-yn-3-yl-3-methylbenzamide
CID 103528693
4-chloro-2-fluoro-N-hex-1-yn-3-ylbenzamide
CID 103528497
4-amino-N-hex-1-yn-3-yl-2-methylbenzamide
CID 106223497
5-fluoro-N-hex-1-yn-3-yl-2-hydroxybenzamide
CID 103529109
4-bromo-N-hex-1-yn-3-yl-2-sulfanylbenzamide
CID 114161252
2-ethyl-N-hex-1-yn-3-ylfuran-3-carboxamide
CID 106228530
N-hex-1-yn-3-yl-6-methylpyridine-2-carboxamide
CID 103528407
4-tert-butyl-N-hex-1-yn-3-ylbenzamide
CID 106228291

Frequently Asked Questions

What is the IUPAC name of N-hex-1-yn-3-yl-1-hydroxynaphthalene-2-carboxamide?
The IUPAC name of N-hex-1-yn-3-yl-1-hydroxynaphthalene-2-carboxamide (CID 106228601) is N-hex-1-yn-3-yl-1-hydroxynaphthalene-2-carboxamide.
What is the SMILES notation for N-hex-1-yn-3-yl-1-hydroxynaphthalene-2-carboxamide?
The canonical SMILES for N-hex-1-yn-3-yl-1-hydroxynaphthalene-2-carboxamide is C#CC(CCC)NC(=O)c1ccc2ccccc2c1O.
What is the InChIKey of N-hex-1-yn-3-yl-1-hydroxynaphthalene-2-carboxamide?
The InChIKey is ACSZJIAOLWADBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO2/c1-3-7-13(4-2)18-17(20)15-11-10-12-8-5-6-9-14(12)16(15)19/h2,5-6,8-11,13,19H,3,7H2,1H3,(H,18,20).
What are the key properties of N-hex-1-yn-3-yl-1-hydroxynaphthalene-2-carboxamide?
N-hex-1-yn-3-yl-1-hydroxynaphthalene-2-carboxamide has a molecular weight of 267.33 g/mol, XLogP of 3.08, 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-1-hydroxynaphthalene-2-carboxamide is sourced from PubChem (CID 106228601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).