2-(4-cyano-2-methoxyphenoxy)-N-[4-(diethylamino)phenyl]acetamide

C20H23N3O3 — CID 55309601

IUPAC2-(4-cyano-2-methoxyphenoxy)-N-[4-(diethylamino)phenyl]acetamide
SMILESCCN(CC)c1ccc(NC(=O)COc2ccc(C#N)cc2OC)cc1
InChIInChI=1S/C20H23N3O3/c1-4-23(5-2)17-9-7-16(8-10-17)22-20(24)14-26-18-11-6-15(13-21)12-19(18)25-3/h6-12H,4-5,14H2,1-3H3,(H,22,24)
InChIKeyXVWZTZHGNTXQPK-UHFFFAOYSA-N
MW353.42 g/mol
LogP3.43
Rot. Bonds8

About 2-(4-cyano-2-methoxyphenoxy)-N-[4-(diethylamino)phenyl]acetamide

2-(4-cyano-2-methoxyphenoxy)-N-[4-(diethylamino)phenyl]acetamide (PubChem CID 55309601) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is 2-(4-cyano-2-methoxyphenoxy)-N-[4-(diethylamino)phenyl]acetamide.

Molecular Properties

Compound Name2-(4-cyano-2-methoxyphenoxy)-N-[4-(diethylamino)phenyl]acetamide
PubChem CID55309601
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC Name2-(4-cyano-2-methoxyphenoxy)-N-[4-(diethylamino)phenyl]acetamide
SMILESCCN(CC)c1ccc(NC(=O)COc2ccc(C#N)cc2OC)cc1
InChIInChI=1S/C20H23N3O3/c1-4-23(5-2)17-9-7-16(8-10-17)22-20(24)14-26-18-11-6-15(13-21)12-19(18)25-3/h6-12H,4-5,14H2,1-3H3,(H,22,24)
InChIKeyXVWZTZHGNTXQPK-UHFFFAOYSA-N
XLogP3.43
TPSA74.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

2-(4-cyano-2-methoxyphenoxy)-N-(4-ethylphenyl)acetamide
CID 2492527
2-(4-cyano-2-methoxyphenoxy)-N-[4-(diethylsulfamoyl)phenyl]acetamide
CID 2492497
2-[4-[[2-(4-cyano-2-methoxyphenoxy)acetyl]amino]phenyl]-2-methylpropanoic acid
CID 119253821
5-[[2-(4-cyano-2-methoxyphenoxy)acetyl]amino]benzene-1,3-dicarboxamide
CID 41070274
2-(4-cyano-2-methoxyphenoxy)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetamide
CID 16511665
2-(4-cyano-2-methoxyphenoxy)-N-[3-[(dimethylamino)methyl]phenyl]acetamide
CID 86932038
N-(4-tert-butylphenyl)-2-(4-cyano-2-ethoxyphenoxy)acetamide
CID 7993191
2-(4-cyano-2-methoxyphenoxy)-N-(4-fluoro-3-nitrophenyl)acetamide
CID 4845177
2-(4-cyano-2-methoxyphenoxy)-N-(4-methoxy-2,5-dimethylphenyl)acetamide
CID 2976145
2-(2-chloro-4-cyanophenoxy)-N-(4-methoxyphenyl)acetamide
CID 8975814
N-carbamoyl-2-(4-cyano-2-methoxyphenoxy)acetamide
CID 2492394
2-(4-cyano-2-methoxyphenoxy)-N-(2-fluorophenyl)acetamide
CID 2492568

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyano-2-methoxyphenoxy)-N-[4-(diethylamino)phenyl]acetamide?
The IUPAC name of 2-(4-cyano-2-methoxyphenoxy)-N-[4-(diethylamino)phenyl]acetamide (CID 55309601) is 2-(4-cyano-2-methoxyphenoxy)-N-[4-(diethylamino)phenyl]acetamide.
What is the SMILES notation for 2-(4-cyano-2-methoxyphenoxy)-N-[4-(diethylamino)phenyl]acetamide?
The canonical SMILES for 2-(4-cyano-2-methoxyphenoxy)-N-[4-(diethylamino)phenyl]acetamide is CCN(CC)c1ccc(NC(=O)COc2ccc(C#N)cc2OC)cc1.
What is the InChIKey of 2-(4-cyano-2-methoxyphenoxy)-N-[4-(diethylamino)phenyl]acetamide?
The InChIKey is XVWZTZHGNTXQPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3/c1-4-23(5-2)17-9-7-16(8-10-17)22-20(24)14-26-18-11-6-15(13-21)12-19(18)25-3/h6-12H,4-5,14H2,1-3H3,(H,22,24).
What are the key properties of 2-(4-cyano-2-methoxyphenoxy)-N-[4-(diethylamino)phenyl]acetamide?
2-(4-cyano-2-methoxyphenoxy)-N-[4-(diethylamino)phenyl]acetamide has a molecular weight of 353.42 g/mol, XLogP of 3.43, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyano-2-methoxyphenoxy)-N-[4-(diethylamino)phenyl]acetamide is sourced from PubChem (CID 55309601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).