(2R)-2-(4-cyano-2-ethoxyphenoxy)-N-(2-methoxy-5-methylphenyl)-2-phenylacetamide

C25H24N2O4 — CID 8607165

IUPAC(2R)-2-(4-cyano-2-ethoxyphenoxy)-N-(2-methoxy-5-methylphenyl)-2-phenylacetamide
SMILESCCOc1cc(C#N)ccc1O[C@@H](C(=O)Nc1cc(C)ccc1OC)c1ccccc1
InChIInChI=1S/C25H24N2O4/c1-4-30-23-15-18(16-26)11-13-22(23)31-24(19-8-6-5-7-9-19)25(28)27-20-14-17(2)10-12-21(20)29-3/h5-15,24H,4H2,1-3H3,(H,27,28)/t24-/m1/s1
InChIKeyWEJPNLXTNHOUKR-XMMPIXPASA-N
MW416.48 g/mol
LogP5.03
Rot. Bonds8

About (2R)-2-(4-cyano-2-ethoxyphenoxy)-N-(2-methoxy-5-methylphenyl)-2-phenylacetamide

(2R)-2-(4-cyano-2-ethoxyphenoxy)-N-(2-methoxy-5-methylphenyl)-2-phenylacetamide (PubChem CID 8607165) has the molecular formula C25H24N2O4 and a molecular weight of 416.48 g/mol. Its IUPAC name is (2R)-2-(4-cyano-2-ethoxyphenoxy)-N-(2-methoxy-5-methylphenyl)-2-phenylacetamide.

Molecular Properties

Compound Name(2R)-2-(4-cyano-2-ethoxyphenoxy)-N-(2-methoxy-5-methylphenyl)-2-phenylacetamide
PubChem CID8607165
Molecular FormulaC25H24N2O4
Molecular Weight416.48 g/mol
Exact Mass416.17
IUPAC Name(2R)-2-(4-cyano-2-ethoxyphenoxy)-N-(2-methoxy-5-methylphenyl)-2-phenylacetamide
SMILESCCOc1cc(C#N)ccc1O[C@@H](C(=O)Nc1cc(C)ccc1OC)c1ccccc1
InChIInChI=1S/C25H24N2O4/c1-4-30-23-15-18(16-26)11-13-22(23)31-24(19-8-6-5-7-9-19)25(28)27-20-14-17(2)10-12-21(20)29-3/h5-15,24H,4H2,1-3H3,(H,27,28)/t24-/m1/s1
InChIKeyWEJPNLXTNHOUKR-XMMPIXPASA-N
XLogP5.03
TPSA80.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.48
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-(3-cyanophenoxy)-N-(2-methoxy-5-methylphenyl)-2-phenylacetamide
CID 8537318
(2R)-2-(4-cyano-2-ethoxyphenoxy)-N-(ethylcarbamoyl)-2-phenylacetamide
CID 7993349
(2R)-2-(4-cyano-2-ethoxyphenoxy)-N-(2,5-dimethylphenyl)propanamide
CID 8939166
(2R)-2-(4-cyanophenoxy)-N-(2-ethoxyphenyl)-2-phenylacetamide
CID 7505945
(2R)-2-methoxy-N-(2-methoxy-5-methylphenyl)-2-phenylacetamide
CID 883174
(2S)-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(4-cyano-2-methoxyphenoxy)-2-phenylacetamide
CID 41155502
(2R)-2-(4-acetyl-2-methoxyphenoxy)-N-(2,5-dimethylphenyl)-2-phenylacetamide
CID 7547758
(2S)-N-(2-methoxy-5-methylphenyl)-2-(4-nitrophenoxy)-2-phenylacetamide
CID 2632132
[(1R)-2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 2-methoxyacetate
CID 8015324
(2S)-2-(4-cyano-2-methoxyphenoxy)-N-(2-methoxyphenyl)propanamide
CID 7757378
[(1R)-2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 3,3-dimethylbutanoate
CID 7950653
[2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 2-[methyl(pyrimidin-2-yl)amino]acetate
CID 43063477

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-cyano-2-ethoxyphenoxy)-N-(2-methoxy-5-methylphenyl)-2-phenylacetamide?
The IUPAC name of (2R)-2-(4-cyano-2-ethoxyphenoxy)-N-(2-methoxy-5-methylphenyl)-2-phenylacetamide (CID 8607165) is (2R)-2-(4-cyano-2-ethoxyphenoxy)-N-(2-methoxy-5-methylphenyl)-2-phenylacetamide.
What is the SMILES notation for (2R)-2-(4-cyano-2-ethoxyphenoxy)-N-(2-methoxy-5-methylphenyl)-2-phenylacetamide?
The canonical SMILES for (2R)-2-(4-cyano-2-ethoxyphenoxy)-N-(2-methoxy-5-methylphenyl)-2-phenylacetamide is CCOc1cc(C#N)ccc1O[C@@H](C(=O)Nc1cc(C)ccc1OC)c1ccccc1.
What is the InChIKey of (2R)-2-(4-cyano-2-ethoxyphenoxy)-N-(2-methoxy-5-methylphenyl)-2-phenylacetamide?
The InChIKey is WEJPNLXTNHOUKR-XMMPIXPASA-N. The full InChI is InChI=1S/C25H24N2O4/c1-4-30-23-15-18(16-26)11-13-22(23)31-24(19-8-6-5-7-9-19)25(28)27-20-14-17(2)10-12-21(20)29-3/h5-15,24H,4H2,1-3H3,(H,27,28)/t24-/m1/s1.
What are the key properties of (2R)-2-(4-cyano-2-ethoxyphenoxy)-N-(2-methoxy-5-methylphenyl)-2-phenylacetamide?
(2R)-2-(4-cyano-2-ethoxyphenoxy)-N-(2-methoxy-5-methylphenyl)-2-phenylacetamide has a molecular weight of 416.48 g/mol, XLogP of 5.03, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-cyano-2-ethoxyphenoxy)-N-(2-methoxy-5-methylphenyl)-2-phenylacetamide is sourced from PubChem (CID 8607165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).