(2R)-2-(4-cyano-2-ethoxyphenoxy)-N-(2,5-dimethylphenyl)propanamide

C20H22N2O3 — CID 8939166

IUPAC(2R)-2-(4-cyano-2-ethoxyphenoxy)-N-(2,5-dimethylphenyl)propanamide
SMILESCCOc1cc(C#N)ccc1O[C@H](C)C(=O)Nc1cc(C)ccc1C
InChIInChI=1S/C20H22N2O3/c1-5-24-19-11-16(12-21)8-9-18(19)25-15(4)20(23)22-17-10-13(2)6-7-14(17)3/h6-11,15H,5H2,1-4H3,(H,22,23)/t15-/m1/s1
InChIKeyDYGLETLUNYGNFB-OAHLLOKOSA-N
MW338.41 g/mol
LogP3.98
Rot. Bonds6

About (2R)-2-(4-cyano-2-ethoxyphenoxy)-N-(2,5-dimethylphenyl)propanamide

(2R)-2-(4-cyano-2-ethoxyphenoxy)-N-(2,5-dimethylphenyl)propanamide (PubChem CID 8939166) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is (2R)-2-(4-cyano-2-ethoxyphenoxy)-N-(2,5-dimethylphenyl)propanamide.

Molecular Properties

Compound Name(2R)-2-(4-cyano-2-ethoxyphenoxy)-N-(2,5-dimethylphenyl)propanamide
PubChem CID8939166
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC Name(2R)-2-(4-cyano-2-ethoxyphenoxy)-N-(2,5-dimethylphenyl)propanamide
SMILESCCOc1cc(C#N)ccc1O[C@H](C)C(=O)Nc1cc(C)ccc1C
InChIInChI=1S/C20H22N2O3/c1-5-24-19-11-16(12-21)8-9-18(19)25-15(4)20(23)22-17-10-13(2)6-7-14(17)3/h6-11,15H,5H2,1-4H3,(H,22,23)/t15-/m1/s1
InChIKeyDYGLETLUNYGNFB-OAHLLOKOSA-N
XLogP3.98
TPSA71.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-(4-cyano-2-ethoxyphenoxy)-N-(2,5-dichlorophenyl)propanamide
CID 7993037
(2S)-2-(4-cyano-2-ethoxyphenoxy)-N-(3,5-dichlorophenyl)propanamide
CID 7992828
(2R)-2-(4-cyano-2-ethoxyphenoxy)-N-(2-methoxy-5-methylphenyl)-2-phenylacetamide
CID 8607165
(2S)-2-(4-cyano-2-methoxyphenoxy)-N-(4-ethoxyphenyl)propanamide
CID 8978421
(2S)-N-(2,5-dimethylphenyl)-2-(2-ethylphenoxy)propanamide
CID 94011869
(2S)-2-(4-cyano-2-ethoxyphenoxy)-N-(cyclohexylcarbamoyl)propanamide
CID 7993066
(2S)-2-(4-cyano-2-methoxyphenoxy)-N-(2-methoxyphenyl)propanamide
CID 7757378
(2R)-N-(2-cyanophenyl)-2-(2-ethoxyphenoxy)propanamide
CID 7613071
2-(5-cyano-2-methylphenoxy)-N-pentan-2-ylpropanamide
CID 107663138
(2R)-N-(2,5-dimethylphenyl)-2-(2-formyl-4-nitrophenoxy)propanamide
CID 8733164
(2S)-2-amino-N-(5-cyano-2-methylphenyl)-3-methylpentanamide
CID 62105604
2-(2-chlorophenoxy)-N-(2,5-dimethylphenyl)propanamide
CID 4931956

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-cyano-2-ethoxyphenoxy)-N-(2,5-dimethylphenyl)propanamide?
The IUPAC name of (2R)-2-(4-cyano-2-ethoxyphenoxy)-N-(2,5-dimethylphenyl)propanamide (CID 8939166) is (2R)-2-(4-cyano-2-ethoxyphenoxy)-N-(2,5-dimethylphenyl)propanamide.
What is the SMILES notation for (2R)-2-(4-cyano-2-ethoxyphenoxy)-N-(2,5-dimethylphenyl)propanamide?
The canonical SMILES for (2R)-2-(4-cyano-2-ethoxyphenoxy)-N-(2,5-dimethylphenyl)propanamide is CCOc1cc(C#N)ccc1O[C@H](C)C(=O)Nc1cc(C)ccc1C.
What is the InChIKey of (2R)-2-(4-cyano-2-ethoxyphenoxy)-N-(2,5-dimethylphenyl)propanamide?
The InChIKey is DYGLETLUNYGNFB-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H22N2O3/c1-5-24-19-11-16(12-21)8-9-18(19)25-15(4)20(23)22-17-10-13(2)6-7-14(17)3/h6-11,15H,5H2,1-4H3,(H,22,23)/t15-/m1/s1.
What are the key properties of (2R)-2-(4-cyano-2-ethoxyphenoxy)-N-(2,5-dimethylphenyl)propanamide?
(2R)-2-(4-cyano-2-ethoxyphenoxy)-N-(2,5-dimethylphenyl)propanamide has a molecular weight of 338.41 g/mol, XLogP of 3.98, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-cyano-2-ethoxyphenoxy)-N-(2,5-dimethylphenyl)propanamide is sourced from PubChem (CID 8939166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).