N-methyl-N-phenyl-2-[2-(2-phenylethynyl)anilino]acetamide

C23H20N2O — CID 132939036

IUPACN-methyl-N-phenyl-2-[2-(2-phenylethynyl)anilino]acetamide
SMILESCN(C(=O)CNc1ccccc1C#Cc1ccccc1)c1ccccc1
InChIInChI=1S/C23H20N2O/c1-25(21-13-6-3-7-14-21)23(26)18-24-22-15-9-8-12-20(22)17-16-19-10-4-2-5-11-19/h2-15,24H,18H2,1H3
InChIKeyXDWAMRKSMLOSFP-UHFFFAOYSA-N
MW340.43 g/mol
LogP4.16
Rot. Bonds4

About N-methyl-N-phenyl-2-[2-(2-phenylethynyl)anilino]acetamide

N-methyl-N-phenyl-2-[2-(2-phenylethynyl)anilino]acetamide (PubChem CID 132939036) has the molecular formula C23H20N2O and a molecular weight of 340.43 g/mol. Its IUPAC name is N-methyl-N-phenyl-2-[2-(2-phenylethynyl)anilino]acetamide.

Molecular Properties

Compound NameN-methyl-N-phenyl-2-[2-(2-phenylethynyl)anilino]acetamide
PubChem CID132939036
Molecular FormulaC23H20N2O
Molecular Weight340.43 g/mol
Exact Mass340.16
IUPAC NameN-methyl-N-phenyl-2-[2-(2-phenylethynyl)anilino]acetamide
SMILESCN(C(=O)CNc1ccccc1C#Cc1ccccc1)c1ccccc1
InChIInChI=1S/C23H20N2O/c1-25(21-13-6-3-7-14-21)23(26)18-24-22-15-9-8-12-20(22)17-16-19-10-4-2-5-11-19/h2-15,24H,18H2,1H3
InChIKeyXDWAMRKSMLOSFP-UHFFFAOYSA-N
XLogP4.16
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-phenyl-2-[2-(2-phenylethynyl)anilino]acetamide?
The IUPAC name of N-methyl-N-phenyl-2-[2-(2-phenylethynyl)anilino]acetamide (CID 132939036) is N-methyl-N-phenyl-2-[2-(2-phenylethynyl)anilino]acetamide.
What is the SMILES notation for N-methyl-N-phenyl-2-[2-(2-phenylethynyl)anilino]acetamide?
The canonical SMILES for N-methyl-N-phenyl-2-[2-(2-phenylethynyl)anilino]acetamide is CN(C(=O)CNc1ccccc1C#Cc1ccccc1)c1ccccc1.
What is the InChIKey of N-methyl-N-phenyl-2-[2-(2-phenylethynyl)anilino]acetamide?
The InChIKey is XDWAMRKSMLOSFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O/c1-25(21-13-6-3-7-14-21)23(26)18-24-22-15-9-8-12-20(22)17-16-19-10-4-2-5-11-19/h2-15,24H,18H2,1H3.
What are the key properties of N-methyl-N-phenyl-2-[2-(2-phenylethynyl)anilino]acetamide?
N-methyl-N-phenyl-2-[2-(2-phenylethynyl)anilino]acetamide has a molecular weight of 340.43 g/mol, XLogP of 4.16, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-phenyl-2-[2-(2-phenylethynyl)anilino]acetamide is sourced from PubChem (CID 132939036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).