2-naphthalen-2-yl-N-(3-phenylprop-2-ynyl)acetamide

C21H17NO — CID 51332454

IUPAC2-naphthalen-2-yl-N-(3-phenylprop-2-ynyl)acetamide
SMILESO=C(Cc1ccc2ccccc2c1)NCC#Cc1ccccc1
InChIInChI=1S/C21H17NO/c23-21(22-14-6-9-17-7-2-1-3-8-17)16-18-12-13-19-10-4-5-11-20(19)15-18/h1-5,7-8,10-13,15H,14,16H2,(H,22,23)
InChIKeyRCQPUHXRGQGKQY-UHFFFAOYSA-N
MW299.37 g/mol
LogP3.55
Rot. Bonds3

About 2-naphthalen-2-yl-N-(3-phenylprop-2-ynyl)acetamide

2-naphthalen-2-yl-N-(3-phenylprop-2-ynyl)acetamide (PubChem CID 51332454) has the molecular formula C21H17NO and a molecular weight of 299.37 g/mol. Its IUPAC name is 2-naphthalen-2-yl-N-(3-phenylprop-2-ynyl)acetamide.

Molecular Properties

Compound Name2-naphthalen-2-yl-N-(3-phenylprop-2-ynyl)acetamide
PubChem CID51332454
Molecular FormulaC21H17NO
Molecular Weight299.37 g/mol
Exact Mass299.13
IUPAC Name2-naphthalen-2-yl-N-(3-phenylprop-2-ynyl)acetamide
SMILESO=C(Cc1ccc2ccccc2c1)NCC#Cc1ccccc1
InChIInChI=1S/C21H17NO/c23-21(22-14-6-9-17-7-2-1-3-8-17)16-18-12-13-19-10-4-5-11-20(19)15-18/h1-5,7-8,10-13,15H,14,16H2,(H,22,23)
InChIKeyRCQPUHXRGQGKQY-UHFFFAOYSA-N
XLogP3.55
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 53.55
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

2-(4-chlorophenyl)-N-(3-phenylprop-2-ynyl)acetamide
CID 51325787
N-(3-phenylprop-2-ynyl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 51332685
2-naphthalen-1-yl-N-[2-oxo-2-(3-phenylprop-2-ynylamino)ethyl]acetamide
CID 51332688
2-naphthalen-2-yl-N-(2-phenylethyl)acetamide
CID 26913082
N-[(2R)-2-hydroxypropyl]-2-naphthalen-2-ylacetamide
CID 83032079
N-(2-hydroxy-2-phenylpropyl)-2-naphthalen-2-ylacetamide
CID 111335174
N-(2-amino-2-oxoethyl)-2-naphthalen-2-ylacetamide
CID 9296472
N-(2-bromoethyl)-2-naphthalen-2-ylacetamide
CID 43133408
N-[(4-tert-butylphenyl)methyl]-2-naphthalen-2-ylacetamide
CID 68703244
N-[2-(ethylamino)ethyl]-2-naphthalen-2-ylacetamide;hydrochloride
CID 119504641
2-(2-nitrophenyl)-N-(3-phenylprop-2-ynyl)acetamide
CID 24615540
2-naphthalen-2-ylacetic acid;hydrate
CID 141284527

Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-2-yl-N-(3-phenylprop-2-ynyl)acetamide?
The IUPAC name of 2-naphthalen-2-yl-N-(3-phenylprop-2-ynyl)acetamide (CID 51332454) is 2-naphthalen-2-yl-N-(3-phenylprop-2-ynyl)acetamide.
What is the SMILES notation for 2-naphthalen-2-yl-N-(3-phenylprop-2-ynyl)acetamide?
The canonical SMILES for 2-naphthalen-2-yl-N-(3-phenylprop-2-ynyl)acetamide is O=C(Cc1ccc2ccccc2c1)NCC#Cc1ccccc1.
What is the InChIKey of 2-naphthalen-2-yl-N-(3-phenylprop-2-ynyl)acetamide?
The InChIKey is RCQPUHXRGQGKQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17NO/c23-21(22-14-6-9-17-7-2-1-3-8-17)16-18-12-13-19-10-4-5-11-20(19)15-18/h1-5,7-8,10-13,15H,14,16H2,(H,22,23).
What are the key properties of 2-naphthalen-2-yl-N-(3-phenylprop-2-ynyl)acetamide?
2-naphthalen-2-yl-N-(3-phenylprop-2-ynyl)acetamide has a molecular weight of 299.37 g/mol, XLogP of 3.55, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-2-yl-N-(3-phenylprop-2-ynyl)acetamide is sourced from PubChem (CID 51332454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).