N-hex-1-yn-3-yl-2-naphthalen-2-ylacetamide

C18H19NO — CID 103528710

IUPACN-hex-1-yn-3-yl-2-naphthalen-2-ylacetamide
SMILESC#CC(CCC)NC(=O)Cc1ccc2ccccc2c1
InChIInChI=1S/C18H19NO/c1-3-7-17(4-2)19-18(20)13-14-10-11-15-8-5-6-9-16(15)12-14/h2,5-6,8-12,17H,3,7,13H2,1H3,(H,19,20)
InChIKeyRCDFOXSKZSGSHJ-UHFFFAOYSA-N
MW265.36 g/mol
LogP3.30
Rot. Bonds5

About N-hex-1-yn-3-yl-2-naphthalen-2-ylacetamide

N-hex-1-yn-3-yl-2-naphthalen-2-ylacetamide (PubChem CID 103528710) has the molecular formula C18H19NO and a molecular weight of 265.36 g/mol. Its IUPAC name is N-hex-1-yn-3-yl-2-naphthalen-2-ylacetamide.

Molecular Properties

Compound NameN-hex-1-yn-3-yl-2-naphthalen-2-ylacetamide
PubChem CID103528710
Molecular FormulaC18H19NO
Molecular Weight265.36 g/mol
Exact Mass265.15
IUPAC NameN-hex-1-yn-3-yl-2-naphthalen-2-ylacetamide
SMILESC#CC(CCC)NC(=O)Cc1ccc2ccccc2c1
InChIInChI=1S/C18H19NO/c1-3-7-17(4-2)19-18(20)13-14-10-11-15-8-5-6-9-16(15)12-14/h2,5-6,8-12,17H,3,7,13H2,1H3,(H,19,20)
InChIKeyRCDFOXSKZSGSHJ-UHFFFAOYSA-N
XLogP3.30
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-but-3-yn-2-yl-2-naphthalen-2-ylacetamide
CID 114389774
2-(4-aminophenyl)-N-hex-1-yn-3-ylacetamide
CID 106223446
2-(2-chlorophenyl)-N-hex-1-yn-3-ylacetamide
CID 103528530
N-hex-1-yn-3-yl-1-hydroxynaphthalene-2-carboxamide
CID 106228601
phenyl N-hex-1-yn-3-ylcarbamate
CID 103528912
N-(5-chloropentan-2-yl)-2-naphthalen-2-ylacetamide
CID 114305681
N-(1-cyanopropan-2-yl)-2-naphthalen-2-ylacetamide
CID 62090634
2-[(2-naphthalen-2-ylacetyl)amino]propanediamide
CID 134011808
4-methyl-2-[(2-naphthalen-2-ylacetyl)amino]pentanoic acid
CID 18070230
(2S)-2-amino-N-hex-1-yn-3-yl-3-phenylpropanamide
CID 106230687
N-(1-cyanobutyl)-2-(3-methylphenyl)acetamide
CID 55067567
N-[(2R)-2-hydroxypropyl]-2-naphthalen-2-ylacetamide
CID 83032079

Frequently Asked Questions

What is the IUPAC name of N-hex-1-yn-3-yl-2-naphthalen-2-ylacetamide?
The IUPAC name of N-hex-1-yn-3-yl-2-naphthalen-2-ylacetamide (CID 103528710) is N-hex-1-yn-3-yl-2-naphthalen-2-ylacetamide.
What is the SMILES notation for N-hex-1-yn-3-yl-2-naphthalen-2-ylacetamide?
The canonical SMILES for N-hex-1-yn-3-yl-2-naphthalen-2-ylacetamide is C#CC(CCC)NC(=O)Cc1ccc2ccccc2c1.
What is the InChIKey of N-hex-1-yn-3-yl-2-naphthalen-2-ylacetamide?
The InChIKey is RCDFOXSKZSGSHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO/c1-3-7-17(4-2)19-18(20)13-14-10-11-15-8-5-6-9-16(15)12-14/h2,5-6,8-12,17H,3,7,13H2,1H3,(H,19,20).
What are the key properties of N-hex-1-yn-3-yl-2-naphthalen-2-ylacetamide?
N-hex-1-yn-3-yl-2-naphthalen-2-ylacetamide has a molecular weight of 265.36 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-hex-1-yn-3-yl-2-naphthalen-2-ylacetamide is sourced from PubChem (CID 103528710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).