2-(4-cyano-2-ethoxyphenoxy)-N-[3-(pyrrolidin-1-ylmethyl)phenyl]acetamide

C22H25N3O3 — CID 46417263

IUPAC2-(4-cyano-2-ethoxyphenoxy)-N-[3-(pyrrolidin-1-ylmethyl)phenyl]acetamide
SMILESCCOc1cc(C#N)ccc1OCC(=O)Nc1cccc(CN2CCCC2)c1
InChIInChI=1S/C22H25N3O3/c1-2-27-21-13-17(14-23)8-9-20(21)28-16-22(26)24-19-7-5-6-18(12-19)15-25-10-3-4-11-25/h5-9,12-13H,2-4,10-11,15-16H2,1H3,(H,24,26)
InChIKeyXQLCITBETKGPBJ-UHFFFAOYSA-N
MW379.46 g/mol
LogP3.57
Rot. Bonds8

About 2-(4-cyano-2-ethoxyphenoxy)-N-[3-(pyrrolidin-1-ylmethyl)phenyl]acetamide

2-(4-cyano-2-ethoxyphenoxy)-N-[3-(pyrrolidin-1-ylmethyl)phenyl]acetamide (PubChem CID 46417263) has the molecular formula C22H25N3O3 and a molecular weight of 379.46 g/mol. Its IUPAC name is 2-(4-cyano-2-ethoxyphenoxy)-N-[3-(pyrrolidin-1-ylmethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(4-cyano-2-ethoxyphenoxy)-N-[3-(pyrrolidin-1-ylmethyl)phenyl]acetamide
PubChem CID46417263
Molecular FormulaC22H25N3O3
Molecular Weight379.46 g/mol
Exact Mass379.19
IUPAC Name2-(4-cyano-2-ethoxyphenoxy)-N-[3-(pyrrolidin-1-ylmethyl)phenyl]acetamide
SMILESCCOc1cc(C#N)ccc1OCC(=O)Nc1cccc(CN2CCCC2)c1
InChIInChI=1S/C22H25N3O3/c1-2-27-21-13-17(14-23)8-9-20(21)28-16-22(26)24-19-7-5-6-18(12-19)15-25-10-3-4-11-25/h5-9,12-13H,2-4,10-11,15-16H2,1H3,(H,24,26)
InChIKeyXQLCITBETKGPBJ-UHFFFAOYSA-N
XLogP3.57
TPSA74.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-cyano-2-ethoxyphenoxy)-N-(3-methylsulfonylphenyl)acetamide
CID 9355977
3-[[2-(4-cyano-2-ethoxyphenoxy)acetyl]amino]-N-ethylbenzamide
CID 8561169
N-(4-tert-butylphenyl)-2-(4-cyano-2-ethoxyphenoxy)acetamide
CID 7993191
2-(4-cyano-2-methoxyphenoxy)-N-[3-[(dimethylamino)methyl]phenyl]acetamide
CID 86932038
2-(4-cyano-2-ethoxyphenoxy)-N-[3-(2-sulfanylidene-1H-imidazol-3-yl)phenyl]acetamide
CID 46411607
N-(4-acetamido-3-methylphenyl)-2-(4-cyano-2-ethoxyphenoxy)acetamide
CID 46421737
N-[3-(pyrrolidin-1-ylmethyl)phenyl]butanamide
CID 60755428
2-(2-bromo-4-cyano-6-ethoxyphenoxy)-N-(3-cyanophenyl)acetamide
CID 38468772
2-(4-cyano-2-ethoxyphenoxy)-N-cyclopentylacetamide
CID 7993285
2-[2-oxo-2-[3-(pyrrolidin-1-ylmethyl)anilino]ethoxy]acetic acid
CID 61326883
2-(4-cyanophenoxy)-N-(3-ethylphenyl)acetamide
CID 2100456
[2-(3-cyanoanilino)-2-oxoethyl] 2-(2-ethoxyphenoxy)acetate
CID 9272266

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyano-2-ethoxyphenoxy)-N-[3-(pyrrolidin-1-ylmethyl)phenyl]acetamide?
The IUPAC name of 2-(4-cyano-2-ethoxyphenoxy)-N-[3-(pyrrolidin-1-ylmethyl)phenyl]acetamide (CID 46417263) is 2-(4-cyano-2-ethoxyphenoxy)-N-[3-(pyrrolidin-1-ylmethyl)phenyl]acetamide.
What is the SMILES notation for 2-(4-cyano-2-ethoxyphenoxy)-N-[3-(pyrrolidin-1-ylmethyl)phenyl]acetamide?
The canonical SMILES for 2-(4-cyano-2-ethoxyphenoxy)-N-[3-(pyrrolidin-1-ylmethyl)phenyl]acetamide is CCOc1cc(C#N)ccc1OCC(=O)Nc1cccc(CN2CCCC2)c1.
What is the InChIKey of 2-(4-cyano-2-ethoxyphenoxy)-N-[3-(pyrrolidin-1-ylmethyl)phenyl]acetamide?
The InChIKey is XQLCITBETKGPBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O3/c1-2-27-21-13-17(14-23)8-9-20(21)28-16-22(26)24-19-7-5-6-18(12-19)15-25-10-3-4-11-25/h5-9,12-13H,2-4,10-11,15-16H2,1H3,(H,24,26).
What are the key properties of 2-(4-cyano-2-ethoxyphenoxy)-N-[3-(pyrrolidin-1-ylmethyl)phenyl]acetamide?
2-(4-cyano-2-ethoxyphenoxy)-N-[3-(pyrrolidin-1-ylmethyl)phenyl]acetamide has a molecular weight of 379.46 g/mol, XLogP of 3.57, 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-ethoxyphenoxy)-N-[3-(pyrrolidin-1-ylmethyl)phenyl]acetamide is sourced from PubChem (CID 46417263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).