2-naphthalen-1-yl-N-[2-oxo-2-(3-phenylprop-2-ynylamino)ethyl]acetamide

C23H20N2O2 — CID 51332688

IUPAC2-naphthalen-1-yl-N-[2-oxo-2-(3-phenylprop-2-ynylamino)ethyl]acetamide
SMILESO=C(CNC(=O)Cc1cccc2ccccc12)NCC#Cc1ccccc1
InChIInChI=1S/C23H20N2O2/c26-22(16-20-13-6-12-19-11-4-5-14-21(19)20)25-17-23(27)24-15-7-10-18-8-2-1-3-9-18/h1-6,8-9,11-14H,15-17H2,(H,24,27)(H,25,26)
InChIKeyOFUQWBZQGWQVHR-UHFFFAOYSA-N
MW356.43 g/mol
LogP2.67
Rot. Bonds5

About 2-naphthalen-1-yl-N-[2-oxo-2-(3-phenylprop-2-ynylamino)ethyl]acetamide

2-naphthalen-1-yl-N-[2-oxo-2-(3-phenylprop-2-ynylamino)ethyl]acetamide (PubChem CID 51332688) has the molecular formula C23H20N2O2 and a molecular weight of 356.43 g/mol. Its IUPAC name is 2-naphthalen-1-yl-N-[2-oxo-2-(3-phenylprop-2-ynylamino)ethyl]acetamide.

Molecular Properties

Compound Name2-naphthalen-1-yl-N-[2-oxo-2-(3-phenylprop-2-ynylamino)ethyl]acetamide
PubChem CID51332688
Molecular FormulaC23H20N2O2
Molecular Weight356.43 g/mol
Exact Mass356.15
IUPAC Name2-naphthalen-1-yl-N-[2-oxo-2-(3-phenylprop-2-ynylamino)ethyl]acetamide
SMILESO=C(CNC(=O)Cc1cccc2ccccc12)NCC#Cc1ccccc1
InChIInChI=1S/C23H20N2O2/c26-22(16-20-13-6-12-19-11-4-5-14-21(19)20)25-17-23(27)24-15-7-10-18-8-2-1-3-9-18/h1-6,8-9,11-14H,15-17H2,(H,24,27)(H,25,26)
InChIKeyOFUQWBZQGWQVHR-UHFFFAOYSA-N
XLogP2.67
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 52.67
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

4-[3-[(2-naphthalen-1-ylacetyl)amino]prop-1-ynyl]benzamide
CID 90549825
2-[[2-[(2-naphthalen-1-ylacetyl)amino]acetyl]amino]acetic acid
CID 108797411
N-[2-(ethylamino)-2-oxoethyl]-2-naphthalen-1-ylacetamide
CID 18145666
2-naphthalen-1-yl-N-[2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethyl]acetamide
CID 9163230
2-naphthalen-2-yl-N-(3-phenylprop-2-ynyl)acetamide
CID 51332454
N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-2-naphthalen-1-ylacetamide
CID 51163773
N-(2-amino-2-oxoethyl)-2-naphthalen-1-ylacetamide
CID 9294847
2-(2-nitrophenyl)-N-(3-phenylprop-2-ynyl)acetamide
CID 24615540
2-amino-N-(3-phenylprop-2-ynyl)acetamide
CID 112687685
N-[2-(3-aminobutylamino)-2-oxoethyl]-2-naphthalen-1-ylacetamide;hydrochloride
CID 119497414
N-[2-[2-(methylamino)propylamino]-2-oxoethyl]-2-naphthalen-1-ylacetamide;hydrochloride
CID 120831392
benzyl 2-[[2-[(2-naphthalen-1-ylacetyl)amino]acetyl]amino]acetate
CID 7980388

Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-1-yl-N-[2-oxo-2-(3-phenylprop-2-ynylamino)ethyl]acetamide?
The IUPAC name of 2-naphthalen-1-yl-N-[2-oxo-2-(3-phenylprop-2-ynylamino)ethyl]acetamide (CID 51332688) is 2-naphthalen-1-yl-N-[2-oxo-2-(3-phenylprop-2-ynylamino)ethyl]acetamide.
What is the SMILES notation for 2-naphthalen-1-yl-N-[2-oxo-2-(3-phenylprop-2-ynylamino)ethyl]acetamide?
The canonical SMILES for 2-naphthalen-1-yl-N-[2-oxo-2-(3-phenylprop-2-ynylamino)ethyl]acetamide is O=C(CNC(=O)Cc1cccc2ccccc12)NCC#Cc1ccccc1.
What is the InChIKey of 2-naphthalen-1-yl-N-[2-oxo-2-(3-phenylprop-2-ynylamino)ethyl]acetamide?
The InChIKey is OFUQWBZQGWQVHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O2/c26-22(16-20-13-6-12-19-11-4-5-14-21(19)20)25-17-23(27)24-15-7-10-18-8-2-1-3-9-18/h1-6,8-9,11-14H,15-17H2,(H,24,27)(H,25,26).
What are the key properties of 2-naphthalen-1-yl-N-[2-oxo-2-(3-phenylprop-2-ynylamino)ethyl]acetamide?
2-naphthalen-1-yl-N-[2-oxo-2-(3-phenylprop-2-ynylamino)ethyl]acetamide has a molecular weight of 356.43 g/mol, XLogP of 2.67, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-1-yl-N-[2-oxo-2-(3-phenylprop-2-ynylamino)ethyl]acetamide is sourced from PubChem (CID 51332688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).