2-[4-(4-cyanophenyl)phenoxy]-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide

C26H25N3O3 — CID 18230254

IUPAC2-[4-(4-cyanophenyl)phenoxy]-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide
SMILESN#Cc1ccc(-c2ccc(OCC(=O)Nc3ccc(CN4CCOCC4)cc3)cc2)cc1
InChIInChI=1S/C26H25N3O3/c27-17-20-1-5-22(6-2-20)23-7-11-25(12-8-23)32-19-26(30)28-24-9-3-21(4-10-24)18-29-13-15-31-16-14-29/h1-12H,13-16,18-19H2,(H,28,30)
InChIKeyYZGSFKXKARSFBH-UHFFFAOYSA-N
MW427.50 g/mol
LogP4.07
Rot. Bonds7

About 2-[4-(4-cyanophenyl)phenoxy]-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide

2-[4-(4-cyanophenyl)phenoxy]-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide (PubChem CID 18230254) has the molecular formula C26H25N3O3 and a molecular weight of 427.50 g/mol. Its IUPAC name is 2-[4-(4-cyanophenyl)phenoxy]-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[4-(4-cyanophenyl)phenoxy]-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide
PubChem CID18230254
Molecular FormulaC26H25N3O3
Molecular Weight427.50 g/mol
Exact Mass427.19
IUPAC Name2-[4-(4-cyanophenyl)phenoxy]-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide
SMILESN#Cc1ccc(-c2ccc(OCC(=O)Nc3ccc(CN4CCOCC4)cc3)cc2)cc1
InChIInChI=1S/C26H25N3O3/c27-17-20-1-5-22(6-2-20)23-7-11-25(12-8-23)32-19-26(30)28-24-9-3-21(4-10-24)18-29-13-15-31-16-14-29/h1-12H,13-16,18-19H2,(H,28,30)
InChIKeyYZGSFKXKARSFBH-UHFFFAOYSA-N
XLogP4.07
TPSA74.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.50
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-cyanophenyl)-2-[4-(4-cyanophenyl)phenoxy]acetamide
CID 7966728
2-(4-methylphenoxy)-N-[[4-(morpholin-4-ylmethyl)phenyl]carbamothioyl]acetamide
CID 3511248
N-(4-bromophenyl)-2-[4-(4-cyanophenyl)phenoxy]acetamide
CID 3473577
2-methoxy-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide
CID 60656764
2-(3-bromophenoxy)-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide
CID 78803811
2-(4-cyanophenoxy)-N-(6-morpholin-4-yl-3-pyridinyl)acetamide
CID 17457103
N-(4-butylphenyl)-2-[4-(4-cyanophenyl)phenoxy]acetamide
CID 7671061
[2-[4-(morpholin-4-ylmethyl)anilino]-2-oxoethyl] 2-(4-phenylmethoxyphenoxy)acetate
CID 24518315
2-[4-(cyanomethyl)phenoxy]-N-(4-cyanophenyl)acetamide
CID 43824284
2-amino-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide
CID 60672694
N-[4-(morpholin-4-ylmethyl)phenyl]-2-(3-propan-2-ylphenoxy)acetamide
CID 108730961
4-[4-(morpholin-4-ylmethyl)benzoyl]benzonitrile
CID 24724224

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-cyanophenyl)phenoxy]-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide?
The IUPAC name of 2-[4-(4-cyanophenyl)phenoxy]-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide (CID 18230254) is 2-[4-(4-cyanophenyl)phenoxy]-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide.
What is the SMILES notation for 2-[4-(4-cyanophenyl)phenoxy]-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide?
The canonical SMILES for 2-[4-(4-cyanophenyl)phenoxy]-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide is N#Cc1ccc(-c2ccc(OCC(=O)Nc3ccc(CN4CCOCC4)cc3)cc2)cc1.
What is the InChIKey of 2-[4-(4-cyanophenyl)phenoxy]-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide?
The InChIKey is YZGSFKXKARSFBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O3/c27-17-20-1-5-22(6-2-20)23-7-11-25(12-8-23)32-19-26(30)28-24-9-3-21(4-10-24)18-29-13-15-31-16-14-29/h1-12H,13-16,18-19H2,(H,28,30).
What are the key properties of 2-[4-(4-cyanophenyl)phenoxy]-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide?
2-[4-(4-cyanophenyl)phenoxy]-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide has a molecular weight of 427.50 g/mol, XLogP of 4.07, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-cyanophenyl)phenoxy]-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide is sourced from PubChem (CID 18230254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).