N-(benzylcarbamoyl)-2-(2-cyanophenoxy)acetamide

C17H15N3O3 — CID 2565327

IUPACN-(benzylcarbamoyl)-2-(2-cyanophenoxy)acetamide
SMILESN#Cc1ccccc1OCC(=O)NC(=O)NCc1ccccc1
InChIInChI=1S/C17H15N3O3/c18-10-14-8-4-5-9-15(14)23-12-16(21)20-17(22)19-11-13-6-2-1-3-7-13/h1-9H,11-12H2,(H2,19,20,21,22)
InChIKeyYQQWXAPUADYGKP-UHFFFAOYSA-N
MW309.33 g/mol
LogP1.96
Rot. Bonds5

About N-(benzylcarbamoyl)-2-(2-cyanophenoxy)acetamide

N-(benzylcarbamoyl)-2-(2-cyanophenoxy)acetamide (PubChem CID 2565327) has the molecular formula C17H15N3O3 and a molecular weight of 309.33 g/mol. Its IUPAC name is N-(benzylcarbamoyl)-2-(2-cyanophenoxy)acetamide.

Molecular Properties

Compound NameN-(benzylcarbamoyl)-2-(2-cyanophenoxy)acetamide
PubChem CID2565327
Molecular FormulaC17H15N3O3
Molecular Weight309.33 g/mol
Exact Mass309.11
IUPAC NameN-(benzylcarbamoyl)-2-(2-cyanophenoxy)acetamide
SMILESN#Cc1ccccc1OCC(=O)NC(=O)NCc1ccccc1
InChIInChI=1S/C17H15N3O3/c18-10-14-8-4-5-9-15(14)23-12-16(21)20-17(22)19-11-13-6-2-1-3-7-13/h1-9H,11-12H2,(H2,19,20,21,22)
InChIKeyYQQWXAPUADYGKP-UHFFFAOYSA-N
XLogP1.96
TPSA91.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(benzylcarbamoyl)-2-(2-cyanophenoxy)acetamide?
The IUPAC name of N-(benzylcarbamoyl)-2-(2-cyanophenoxy)acetamide (CID 2565327) is N-(benzylcarbamoyl)-2-(2-cyanophenoxy)acetamide.
What is the SMILES notation for N-(benzylcarbamoyl)-2-(2-cyanophenoxy)acetamide?
The canonical SMILES for N-(benzylcarbamoyl)-2-(2-cyanophenoxy)acetamide is N#Cc1ccccc1OCC(=O)NC(=O)NCc1ccccc1.
What is the InChIKey of N-(benzylcarbamoyl)-2-(2-cyanophenoxy)acetamide?
The InChIKey is YQQWXAPUADYGKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O3/c18-10-14-8-4-5-9-15(14)23-12-16(21)20-17(22)19-11-13-6-2-1-3-7-13/h1-9H,11-12H2,(H2,19,20,21,22).
What are the key properties of N-(benzylcarbamoyl)-2-(2-cyanophenoxy)acetamide?
N-(benzylcarbamoyl)-2-(2-cyanophenoxy)acetamide has a molecular weight of 309.33 g/mol, XLogP of 1.96, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzylcarbamoyl)-2-(2-cyanophenoxy)acetamide is sourced from PubChem (CID 2565327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).