(2R)-2-(4-acetyl-2-methoxyphenoxy)-N-(2,5-dimethylphenyl)-2-phenylacetamide

C25H25NO4 — CID 7547758

IUPAC(2R)-2-(4-acetyl-2-methoxyphenoxy)-N-(2,5-dimethylphenyl)-2-phenylacetamide
SMILESCOc1cc(C(C)=O)ccc1O[C@@H](C(=O)Nc1cc(C)ccc1C)c1ccccc1
InChIInChI=1S/C25H25NO4/c1-16-10-11-17(2)21(14-16)26-25(28)24(19-8-6-5-7-9-19)30-22-13-12-20(18(3)27)15-23(22)29-4/h5-15,24H,1-4H3,(H,26,28)/t24-/m1/s1
InChIKeyNMSGAOXEQYLXQO-XMMPIXPASA-N
MW403.48 g/mol
LogP5.27
Rot. Bonds7

About (2R)-2-(4-acetyl-2-methoxyphenoxy)-N-(2,5-dimethylphenyl)-2-phenylacetamide

(2R)-2-(4-acetyl-2-methoxyphenoxy)-N-(2,5-dimethylphenyl)-2-phenylacetamide (PubChem CID 7547758) has the molecular formula C25H25NO4 and a molecular weight of 403.48 g/mol. Its IUPAC name is (2R)-2-(4-acetyl-2-methoxyphenoxy)-N-(2,5-dimethylphenyl)-2-phenylacetamide.

Molecular Properties

Compound Name(2R)-2-(4-acetyl-2-methoxyphenoxy)-N-(2,5-dimethylphenyl)-2-phenylacetamide
PubChem CID7547758
Molecular FormulaC25H25NO4
Molecular Weight403.48 g/mol
Exact Mass403.18
IUPAC Name(2R)-2-(4-acetyl-2-methoxyphenoxy)-N-(2,5-dimethylphenyl)-2-phenylacetamide
SMILESCOc1cc(C(C)=O)ccc1O[C@@H](C(=O)Nc1cc(C)ccc1C)c1ccccc1
InChIInChI=1S/C25H25NO4/c1-16-10-11-17(2)21(14-16)26-25(28)24(19-8-6-5-7-9-19)30-22-13-12-20(18(3)27)15-23(22)29-4/h5-15,24H,1-4H3,(H,26,28)/t24-/m1/s1
InChIKeyNMSGAOXEQYLXQO-XMMPIXPASA-N
XLogP5.27
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.48
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-acetyl-2-methoxyphenoxy)-2-phenylacetic acid
CID 43822990
(2R)-2-(2,4-difluorophenoxy)-N-(2,5-dimethylphenyl)-2-phenylacetamide
CID 51645271
(2R)-2-methoxy-N-(2-methoxy-5-methylphenyl)-2-phenylacetamide
CID 883174
[2-(2,5-dimethylanilino)-2-oxo-1-phenylethyl] 4-methoxy-3-sulfamoylbenzoate
CID 42983370
(2R)-2-(4-cyano-2-ethoxyphenoxy)-N-(2-methoxy-5-methylphenyl)-2-phenylacetamide
CID 8607165
(2R)-N-(2,5-dimethylphenyl)-2-(2-methoxyanilino)-2-phenylacetamide
CID 9345391
(2R)-2-(2-methoxy-4-methylphenoxy)-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylacetamide
CID 40882138
[2-(2,5-dimethylanilino)-2-oxo-1-phenylethyl] 2,4-dimethoxybenzoate
CID 42963212
[2-(2,5-dimethylanilino)-2-oxo-1-phenylethyl] 2-methoxy-5-nitrobenzoate
CID 46608761
[(1R)-2-(2,5-dimethylanilino)-2-oxo-1-phenylethyl] 4-(hydroxymethyl)benzoate
CID 2537758
[2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 2-methylbenzoate
CID 4853970
[2-(2,5-dimethylanilino)-2-oxo-1-phenylethyl] 3,5-diacetamidobenzoate
CID 42967572

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-acetyl-2-methoxyphenoxy)-N-(2,5-dimethylphenyl)-2-phenylacetamide?
The IUPAC name of (2R)-2-(4-acetyl-2-methoxyphenoxy)-N-(2,5-dimethylphenyl)-2-phenylacetamide (CID 7547758) is (2R)-2-(4-acetyl-2-methoxyphenoxy)-N-(2,5-dimethylphenyl)-2-phenylacetamide.
What is the SMILES notation for (2R)-2-(4-acetyl-2-methoxyphenoxy)-N-(2,5-dimethylphenyl)-2-phenylacetamide?
The canonical SMILES for (2R)-2-(4-acetyl-2-methoxyphenoxy)-N-(2,5-dimethylphenyl)-2-phenylacetamide is COc1cc(C(C)=O)ccc1O[C@@H](C(=O)Nc1cc(C)ccc1C)c1ccccc1.
What is the InChIKey of (2R)-2-(4-acetyl-2-methoxyphenoxy)-N-(2,5-dimethylphenyl)-2-phenylacetamide?
The InChIKey is NMSGAOXEQYLXQO-XMMPIXPASA-N. The full InChI is InChI=1S/C25H25NO4/c1-16-10-11-17(2)21(14-16)26-25(28)24(19-8-6-5-7-9-19)30-22-13-12-20(18(3)27)15-23(22)29-4/h5-15,24H,1-4H3,(H,26,28)/t24-/m1/s1.
What are the key properties of (2R)-2-(4-acetyl-2-methoxyphenoxy)-N-(2,5-dimethylphenyl)-2-phenylacetamide?
(2R)-2-(4-acetyl-2-methoxyphenoxy)-N-(2,5-dimethylphenyl)-2-phenylacetamide has a molecular weight of 403.48 g/mol, XLogP of 5.27, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-acetyl-2-methoxyphenoxy)-N-(2,5-dimethylphenyl)-2-phenylacetamide is sourced from PubChem (CID 7547758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).