4-[3-[(2-naphthalen-1-ylacetyl)amino]prop-1-ynyl]benzamide

C22H18N2O2 — CID 90549825

IUPAC4-[3-[(2-naphthalen-1-ylacetyl)amino]prop-1-ynyl]benzamide
SMILESNC(=O)c1ccc(C#CCNC(=O)Cc2cccc3ccccc23)cc1
InChIInChI=1S/C22H18N2O2/c23-22(26)18-12-10-16(11-13-18)5-4-14-24-21(25)15-19-8-3-7-17-6-1-2-9-20(17)19/h1-3,6-13H,14-15H2,(H2,23,26)(H,24,25)
InChIKeyDBWNOARLHXFXMP-UHFFFAOYSA-N
MW342.40 g/mol
LogP2.65
Rot. Bonds4

About 4-[3-[(2-naphthalen-1-ylacetyl)amino]prop-1-ynyl]benzamide

4-[3-[(2-naphthalen-1-ylacetyl)amino]prop-1-ynyl]benzamide (PubChem CID 90549825) has the molecular formula C22H18N2O2 and a molecular weight of 342.40 g/mol. Its IUPAC name is 4-[3-[(2-naphthalen-1-ylacetyl)amino]prop-1-ynyl]benzamide.

Molecular Properties

Compound Name4-[3-[(2-naphthalen-1-ylacetyl)amino]prop-1-ynyl]benzamide
PubChem CID90549825
Molecular FormulaC22H18N2O2
Molecular Weight342.40 g/mol
Exact Mass342.14
IUPAC Name4-[3-[(2-naphthalen-1-ylacetyl)amino]prop-1-ynyl]benzamide
SMILESNC(=O)c1ccc(C#CCNC(=O)Cc2cccc3ccccc23)cc1
InChIInChI=1S/C22H18N2O2/c23-22(26)18-12-10-16(11-13-18)5-4-14-24-21(25)15-19-8-3-7-17-6-1-2-9-20(17)19/h1-3,6-13H,14-15H2,(H2,23,26)(H,24,25)
InChIKeyDBWNOARLHXFXMP-UHFFFAOYSA-N
XLogP2.65
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 52.65
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

2-naphthalen-1-yl-N-[2-oxo-2-(3-phenylprop-2-ynylamino)ethyl]acetamide
CID 51332688
4-[3-[(2-phenoxyacetyl)amino]prop-1-ynyl]benzamide
CID 90549800
4-[3-(3-chloropropanoylamino)prop-1-ynyl]benzamide
CID 90549738
4-[3-(4-phenylbutanoylamino)prop-1-ynyl]benzamide
CID 90549830
4-[3-(4-chlorobutanoylamino)prop-1-ynyl]benzamide
CID 90549739
N-(2-amino-2-oxoethyl)-2-naphthalen-1-ylacetamide
CID 9294847
4-[3-[(4-chlorobenzoyl)amino]prop-1-ynyl]benzamide
CID 90549768
4-[3-[(4-bromobenzoyl)amino]prop-1-ynyl]benzamide
CID 90549771
4-[3-[[2-(trifluoromethyl)phenyl]carbamoylamino]prop-1-ynyl]benzamide
CID 90553418
4-[3-(thiophen-2-ylmethylcarbamoylamino)prop-1-ynyl]benzamide
CID 90553410
4-[3-[(2,3-dimethoxyphenyl)carbamoylamino]prop-1-ynyl]benzamide
CID 90553408
4-[3-[(2,2,2-trifluoroacetyl)amino]prop-1-ynyl]benzamide
CID 90549909

Frequently Asked Questions

What is the IUPAC name of 4-[3-[(2-naphthalen-1-ylacetyl)amino]prop-1-ynyl]benzamide?
The IUPAC name of 4-[3-[(2-naphthalen-1-ylacetyl)amino]prop-1-ynyl]benzamide (CID 90549825) is 4-[3-[(2-naphthalen-1-ylacetyl)amino]prop-1-ynyl]benzamide.
What is the SMILES notation for 4-[3-[(2-naphthalen-1-ylacetyl)amino]prop-1-ynyl]benzamide?
The canonical SMILES for 4-[3-[(2-naphthalen-1-ylacetyl)amino]prop-1-ynyl]benzamide is NC(=O)c1ccc(C#CCNC(=O)Cc2cccc3ccccc23)cc1.
What is the InChIKey of 4-[3-[(2-naphthalen-1-ylacetyl)amino]prop-1-ynyl]benzamide?
The InChIKey is DBWNOARLHXFXMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O2/c23-22(26)18-12-10-16(11-13-18)5-4-14-24-21(25)15-19-8-3-7-17-6-1-2-9-20(17)19/h1-3,6-13H,14-15H2,(H2,23,26)(H,24,25).
What are the key properties of 4-[3-[(2-naphthalen-1-ylacetyl)amino]prop-1-ynyl]benzamide?
4-[3-[(2-naphthalen-1-ylacetyl)amino]prop-1-ynyl]benzamide has a molecular weight of 342.40 g/mol, XLogP of 2.65, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[(2-naphthalen-1-ylacetyl)amino]prop-1-ynyl]benzamide is sourced from PubChem (CID 90549825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).