[(1R)-2-(2,5-dimethylanilino)-2-oxo-1-phenylethyl] 2-(2-methylphenoxy)acetate

C25H25NO4 — CID 7767655

IUPAC[(1R)-2-(2,5-dimethylanilino)-2-oxo-1-phenylethyl] 2-(2-methylphenoxy)acetate
SMILESCc1ccc(C)c(NC(=O)[C@H](OC(=O)COc2ccccc2C)c2ccccc2)c1
InChIInChI=1S/C25H25NO4/c1-17-13-14-18(2)21(15-17)26-25(28)24(20-10-5-4-6-11-20)30-23(27)16-29-22-12-8-7-9-19(22)3/h4-15,24H,16H2,1-3H3,(H,26,28)/t24-/m1/s1
InChIKeyQFHIBJSHRLVNOW-XMMPIXPASA-N
MW403.48 g/mol
LogP4.91
Rot. Bonds7

About [(1R)-2-(2,5-dimethylanilino)-2-oxo-1-phenylethyl] 2-(2-methylphenoxy)acetate

[(1R)-2-(2,5-dimethylanilino)-2-oxo-1-phenylethyl] 2-(2-methylphenoxy)acetate (PubChem CID 7767655) has the molecular formula C25H25NO4 and a molecular weight of 403.48 g/mol. Its IUPAC name is [(1R)-2-(2,5-dimethylanilino)-2-oxo-1-phenylethyl] 2-(2-methylphenoxy)acetate.

Molecular Properties

Compound Name[(1R)-2-(2,5-dimethylanilino)-2-oxo-1-phenylethyl] 2-(2-methylphenoxy)acetate
PubChem CID7767655
Molecular FormulaC25H25NO4
Molecular Weight403.48 g/mol
Exact Mass403.18
IUPAC Name[(1R)-2-(2,5-dimethylanilino)-2-oxo-1-phenylethyl] 2-(2-methylphenoxy)acetate
SMILESCc1ccc(C)c(NC(=O)[C@H](OC(=O)COc2ccccc2C)c2ccccc2)c1
InChIInChI=1S/C25H25NO4/c1-17-13-14-18(2)21(15-17)26-25(28)24(20-10-5-4-6-11-20)30-23(27)16-29-22-12-8-7-9-19(22)3/h4-15,24H,16H2,1-3H3,(H,26,28)/t24-/m1/s1
InChIKeyQFHIBJSHRLVNOW-XMMPIXPASA-N
XLogP4.91
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.48
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [(1R)-2-(2,5-dimethylanilino)-2-oxo-1-phenylethyl] 2-(2-methylphenoxy)acetate with MolForge

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Related Compounds

[(1S)-2-(2,5-dimethylanilino)-2-oxo-1-phenylethyl] 3-(2-methylphenoxy)propanoate
CID 7841684
[(1S)-2-(2,5-dimethylanilino)-2-oxo-1-phenylethyl] 4-methylpentanoate
CID 7847973
[2-(2,5-dimethylanilino)-2-oxo-1-phenylethyl] 3-(pyrimidin-2-ylamino)propanoate
CID 55701259
[(1R)-2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 2-methoxyacetate
CID 8015324
(2-oxo-1,2-diphenylethyl) 2-(2-methylphenoxy)acetate
CID 2912459
[(1S)-2-(2,5-dimethylanilino)-2-oxo-1-phenylethyl] 2-(2,6-dichlorophenyl)acetate
CID 2390740
[(1R)-2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 2-(3-methylphenoxy)acetate
CID 7853368
[(1S)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 2-(2,4-dimethylphenoxy)acetate
CID 7815250
[(1R)-2-(2,5-dimethylanilino)-2-oxo-1-phenylethyl] 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 8734357
[(1S)-2-(4-methylanilino)-2-oxo-1-phenylethyl] 2-(2-methoxyphenoxy)acetate
CID 8912968
[(1R)-2-(2,5-dimethylanilino)-2-oxo-1-phenylethyl] 4-(hydroxymethyl)benzoate
CID 2537758
[2-(2,5-dimethylanilino)-2-oxo-1-phenylethyl] 2,4-dimethoxybenzoate
CID 42963212

Frequently Asked Questions

What is the IUPAC name of [(1R)-2-(2,5-dimethylanilino)-2-oxo-1-phenylethyl] 2-(2-methylphenoxy)acetate?
The IUPAC name of [(1R)-2-(2,5-dimethylanilino)-2-oxo-1-phenylethyl] 2-(2-methylphenoxy)acetate (CID 7767655) is [(1R)-2-(2,5-dimethylanilino)-2-oxo-1-phenylethyl] 2-(2-methylphenoxy)acetate.
What is the SMILES notation for [(1R)-2-(2,5-dimethylanilino)-2-oxo-1-phenylethyl] 2-(2-methylphenoxy)acetate?
The canonical SMILES for [(1R)-2-(2,5-dimethylanilino)-2-oxo-1-phenylethyl] 2-(2-methylphenoxy)acetate is Cc1ccc(C)c(NC(=O)[C@H](OC(=O)COc2ccccc2C)c2ccccc2)c1.
What is the InChIKey of [(1R)-2-(2,5-dimethylanilino)-2-oxo-1-phenylethyl] 2-(2-methylphenoxy)acetate?
The InChIKey is QFHIBJSHRLVNOW-XMMPIXPASA-N. The full InChI is InChI=1S/C25H25NO4/c1-17-13-14-18(2)21(15-17)26-25(28)24(20-10-5-4-6-11-20)30-23(27)16-29-22-12-8-7-9-19(22)3/h4-15,24H,16H2,1-3H3,(H,26,28)/t24-/m1/s1.
What are the key properties of [(1R)-2-(2,5-dimethylanilino)-2-oxo-1-phenylethyl] 2-(2-methylphenoxy)acetate?
[(1R)-2-(2,5-dimethylanilino)-2-oxo-1-phenylethyl] 2-(2-methylphenoxy)acetate has a molecular weight of 403.48 g/mol, XLogP of 4.91, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-2-(2,5-dimethylanilino)-2-oxo-1-phenylethyl] 2-(2-methylphenoxy)acetate is sourced from PubChem (CID 7767655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).