2-(4-cyano-2-methoxyphenoxy)-N-[3-(pyridin-2-ylmethoxy)phenyl]acetamide

C22H19N3O4 — CID 55653541

IUPAC2-(4-cyano-2-methoxyphenoxy)-N-[3-(pyridin-2-ylmethoxy)phenyl]acetamide
SMILESCOc1cc(C#N)ccc1OCC(=O)Nc1cccc(OCc2ccccn2)c1
InChIInChI=1S/C22H19N3O4/c1-27-21-11-16(13-23)8-9-20(21)29-15-22(26)25-17-6-4-7-19(12-17)28-14-18-5-2-3-10-24-18/h2-12H,14-15H2,1H3,(H,25,26)
InChIKeyOMIOEVZZTGTWOR-UHFFFAOYSA-N
MW389.41 g/mol
LogP3.56
Rot. Bonds8

About 2-(4-cyano-2-methoxyphenoxy)-N-[3-(pyridin-2-ylmethoxy)phenyl]acetamide

2-(4-cyano-2-methoxyphenoxy)-N-[3-(pyridin-2-ylmethoxy)phenyl]acetamide (PubChem CID 55653541) has the molecular formula C22H19N3O4 and a molecular weight of 389.41 g/mol. Its IUPAC name is 2-(4-cyano-2-methoxyphenoxy)-N-[3-(pyridin-2-ylmethoxy)phenyl]acetamide.

Molecular Properties

Compound Name2-(4-cyano-2-methoxyphenoxy)-N-[3-(pyridin-2-ylmethoxy)phenyl]acetamide
PubChem CID55653541
Molecular FormulaC22H19N3O4
Molecular Weight389.41 g/mol
Exact Mass389.14
IUPAC Name2-(4-cyano-2-methoxyphenoxy)-N-[3-(pyridin-2-ylmethoxy)phenyl]acetamide
SMILESCOc1cc(C#N)ccc1OCC(=O)Nc1cccc(OCc2ccccn2)c1
InChIInChI=1S/C22H19N3O4/c1-27-21-11-16(13-23)8-9-20(21)29-15-22(26)25-17-6-4-7-19(12-17)28-14-18-5-2-3-10-24-18/h2-12H,14-15H2,1H3,(H,25,26)
InChIKeyOMIOEVZZTGTWOR-UHFFFAOYSA-N
XLogP3.56
TPSA93.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.41
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-cyano-2-methoxyphenoxy)-N-[3-[(dimethylamino)methyl]phenyl]acetamide
CID 86932038
5-[[2-(4-cyano-2-methoxyphenoxy)acetyl]amino]benzene-1,3-dicarboxamide
CID 41070274
4-methoxy-3-(pyridin-2-ylmethoxy)benzonitrile
CID 117053030
[2-(3-cyanoanilino)-2-oxoethyl] 2-(2-methoxyphenoxy)acetate
CID 7854141
2-(4-cyano-2-methoxyphenoxy)-N-(4-ethylphenyl)acetamide
CID 2492527
3-(pyridin-2-ylmethoxy)benzonitrile
CID 24695986
2-(4-cyano-2-methoxyphenoxy)-N-(2-fluorophenyl)acetamide
CID 2492568
4-(4-cyano-2-methoxyphenoxy)-N-[3-(difluoromethoxy)phenyl]butanamide
CID 55742192
2-(2-methoxy-4-methylphenoxy)-N-[3-(pyridin-3-ylmethoxy)phenyl]acetamide
CID 55804685
2-(4-cyano-2-methoxyphenoxy)-N-[4-(diethylamino)phenyl]acetamide
CID 55309601
2-(4-cyano-2-methoxyphenoxy)-N-[2,6-di(propan-2-yl)phenyl]acetamide
CID 7757339
4-(4-cyano-2-methoxyphenoxy)-N-[3-(trifluoromethoxy)phenyl]butanamide
CID 55712515

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyano-2-methoxyphenoxy)-N-[3-(pyridin-2-ylmethoxy)phenyl]acetamide?
The IUPAC name of 2-(4-cyano-2-methoxyphenoxy)-N-[3-(pyridin-2-ylmethoxy)phenyl]acetamide (CID 55653541) is 2-(4-cyano-2-methoxyphenoxy)-N-[3-(pyridin-2-ylmethoxy)phenyl]acetamide.
What is the SMILES notation for 2-(4-cyano-2-methoxyphenoxy)-N-[3-(pyridin-2-ylmethoxy)phenyl]acetamide?
The canonical SMILES for 2-(4-cyano-2-methoxyphenoxy)-N-[3-(pyridin-2-ylmethoxy)phenyl]acetamide is COc1cc(C#N)ccc1OCC(=O)Nc1cccc(OCc2ccccn2)c1.
What is the InChIKey of 2-(4-cyano-2-methoxyphenoxy)-N-[3-(pyridin-2-ylmethoxy)phenyl]acetamide?
The InChIKey is OMIOEVZZTGTWOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O4/c1-27-21-11-16(13-23)8-9-20(21)29-15-22(26)25-17-6-4-7-19(12-17)28-14-18-5-2-3-10-24-18/h2-12H,14-15H2,1H3,(H,25,26).
What are the key properties of 2-(4-cyano-2-methoxyphenoxy)-N-[3-(pyridin-2-ylmethoxy)phenyl]acetamide?
2-(4-cyano-2-methoxyphenoxy)-N-[3-(pyridin-2-ylmethoxy)phenyl]acetamide has a molecular weight of 389.41 g/mol, XLogP of 3.56, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyano-2-methoxyphenoxy)-N-[3-(pyridin-2-ylmethoxy)phenyl]acetamide is sourced from PubChem (CID 55653541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).