N-(2-cyanophenyl)-2-morpholin-4-ylacetamide

C13H15N3O2 — CID 683121

IUPACN-(2-cyanophenyl)-2-morpholin-4-ylacetamide
SMILESN#Cc1ccccc1NC(=O)CN1CCOCC1
InChIInChI=1S/C13H15N3O2/c14-9-11-3-1-2-4-12(11)15-13(17)10-16-5-7-18-8-6-16/h1-4H,5-8,10H2,(H,15,17)
InChIKeyTWYBWIAHNGOYRH-UHFFFAOYSA-N
MW245.28 g/mol
LogP0.83
Rot. Bonds3

About N-(2-cyanophenyl)-2-morpholin-4-ylacetamide

N-(2-cyanophenyl)-2-morpholin-4-ylacetamide (PubChem CID 683121) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is N-(2-cyanophenyl)-2-morpholin-4-ylacetamide.

Molecular Properties

Compound NameN-(2-cyanophenyl)-2-morpholin-4-ylacetamide
PubChem CID683121
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC NameN-(2-cyanophenyl)-2-morpholin-4-ylacetamide
SMILESN#Cc1ccccc1NC(=O)CN1CCOCC1
InChIInChI=1S/C13H15N3O2/c14-9-11-3-1-2-4-12(11)15-13(17)10-16-5-7-18-8-6-16/h1-4H,5-8,10H2,(H,15,17)
InChIKeyTWYBWIAHNGOYRH-UHFFFAOYSA-N
XLogP0.83
TPSA65.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyanophenyl)-2-morpholin-4-ylacetamide?
The IUPAC name of N-(2-cyanophenyl)-2-morpholin-4-ylacetamide (CID 683121) is N-(2-cyanophenyl)-2-morpholin-4-ylacetamide.
What is the SMILES notation for N-(2-cyanophenyl)-2-morpholin-4-ylacetamide?
The canonical SMILES for N-(2-cyanophenyl)-2-morpholin-4-ylacetamide is N#Cc1ccccc1NC(=O)CN1CCOCC1.
What is the InChIKey of N-(2-cyanophenyl)-2-morpholin-4-ylacetamide?
The InChIKey is TWYBWIAHNGOYRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c14-9-11-3-1-2-4-12(11)15-13(17)10-16-5-7-18-8-6-16/h1-4H,5-8,10H2,(H,15,17).
What are the key properties of N-(2-cyanophenyl)-2-morpholin-4-ylacetamide?
N-(2-cyanophenyl)-2-morpholin-4-ylacetamide has a molecular weight of 245.28 g/mol, XLogP of 0.83, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanophenyl)-2-morpholin-4-ylacetamide is sourced from PubChem (CID 683121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).