methyl 4-[(2R)-1-(4-acetamidoanilino)-1-oxopropan-2-yl]oxybenzoate

C19H20N2O5 — CID 7965103

IUPACmethyl 4-[(2R)-1-(4-acetamidoanilino)-1-oxopropan-2-yl]oxybenzoate
SMILESCOC(=O)c1ccc(O[C@H](C)C(=O)Nc2ccc(NC(C)=O)cc2)cc1
InChIInChI=1S/C19H20N2O5/c1-12(26-17-10-4-14(5-11-17)19(24)25-3)18(23)21-16-8-6-15(7-9-16)20-13(2)22/h4-12H,1-3H3,(H,20,22)(H,21,23)/t12-/m1/s1
InChIKeyWPLIZGOVXFWVGC-GFCCVEGCSA-N
MW356.38 g/mol
LogP2.84
Rot. Bonds6

About methyl 4-[(2R)-1-(4-acetamidoanilino)-1-oxopropan-2-yl]oxybenzoate

methyl 4-[(2R)-1-(4-acetamidoanilino)-1-oxopropan-2-yl]oxybenzoate (PubChem CID 7965103) has the molecular formula C19H20N2O5 and a molecular weight of 356.38 g/mol. Its IUPAC name is methyl 4-[(2R)-1-(4-acetamidoanilino)-1-oxopropan-2-yl]oxybenzoate.

Molecular Properties

Compound Namemethyl 4-[(2R)-1-(4-acetamidoanilino)-1-oxopropan-2-yl]oxybenzoate
PubChem CID7965103
Molecular FormulaC19H20N2O5
Molecular Weight356.38 g/mol
Exact Mass356.14
IUPAC Namemethyl 4-[(2R)-1-(4-acetamidoanilino)-1-oxopropan-2-yl]oxybenzoate
SMILESCOC(=O)c1ccc(O[C@H](C)C(=O)Nc2ccc(NC(C)=O)cc2)cc1
InChIInChI=1S/C19H20N2O5/c1-12(26-17-10-4-14(5-11-17)19(24)25-3)18(23)21-16-8-6-15(7-9-16)20-13(2)22/h4-12H,1-3H3,(H,20,22)(H,21,23)/t12-/m1/s1
InChIKeyWPLIZGOVXFWVGC-GFCCVEGCSA-N
XLogP2.84
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-[(2S)-1-(4-carbamoylanilino)-1-oxopropan-2-yl]oxybenzoate
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methyl 4-[2-(3,4-dimethylphenoxy)propanoylamino]benzoate
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methyl 4-[2-(4-propylphenoxy)propanoylamino]benzoate
CID 53266101
methyl 4-[2-(3-methoxyphenoxy)propanoylamino]benzoate
CID 19203887
[(2S)-1-(4-acetamidoanilino)-1-oxopropan-2-yl] 4-propan-2-yloxybenzoate
CID 7193006
N-(4-acetamidophenyl)-2-(4-ethylphenoxy)propanamide
CID 4953258
(2R)-N-(4-acetamidophenyl)-2-(4-bromophenoxy)propanamide
CID 7731961
N-(4-acetamidophenyl)-2-(4-chlorophenoxy)propanamide
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N-(4-acetamidophenyl)-2-phenoxypropanamide
CID 2897872
methyl 4-[2-(4-chloro-3,5-dimethylphenoxy)propanoylamino]benzoate
CID 19191615
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CID 55504736

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(2R)-1-(4-acetamidoanilino)-1-oxopropan-2-yl]oxybenzoate?
The IUPAC name of methyl 4-[(2R)-1-(4-acetamidoanilino)-1-oxopropan-2-yl]oxybenzoate (CID 7965103) is methyl 4-[(2R)-1-(4-acetamidoanilino)-1-oxopropan-2-yl]oxybenzoate.
What is the SMILES notation for methyl 4-[(2R)-1-(4-acetamidoanilino)-1-oxopropan-2-yl]oxybenzoate?
The canonical SMILES for methyl 4-[(2R)-1-(4-acetamidoanilino)-1-oxopropan-2-yl]oxybenzoate is COC(=O)c1ccc(O[C@H](C)C(=O)Nc2ccc(NC(C)=O)cc2)cc1.
What is the InChIKey of methyl 4-[(2R)-1-(4-acetamidoanilino)-1-oxopropan-2-yl]oxybenzoate?
The InChIKey is WPLIZGOVXFWVGC-GFCCVEGCSA-N. The full InChI is InChI=1S/C19H20N2O5/c1-12(26-17-10-4-14(5-11-17)19(24)25-3)18(23)21-16-8-6-15(7-9-16)20-13(2)22/h4-12H,1-3H3,(H,20,22)(H,21,23)/t12-/m1/s1.
What are the key properties of methyl 4-[(2R)-1-(4-acetamidoanilino)-1-oxopropan-2-yl]oxybenzoate?
methyl 4-[(2R)-1-(4-acetamidoanilino)-1-oxopropan-2-yl]oxybenzoate has a molecular weight of 356.38 g/mol, XLogP of 2.84, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(2R)-1-(4-acetamidoanilino)-1-oxopropan-2-yl]oxybenzoate is sourced from PubChem (CID 7965103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).