methyl 3-[2-(4-acetylphenoxy)propanoylamino]benzoate

C19H19NO5 — CID 17413178

IUPACmethyl 3-[2-(4-acetylphenoxy)propanoylamino]benzoate
SMILESCOC(=O)c1cccc(NC(=O)C(C)Oc2ccc(C(C)=O)cc2)c1
InChIInChI=1S/C19H19NO5/c1-12(21)14-7-9-17(10-8-14)25-13(2)18(22)20-16-6-4-5-15(11-16)19(23)24-3/h4-11,13H,1-3H3,(H,20,22)
InChIKeyICAPKVDXSUVYRR-UHFFFAOYSA-N
MW341.36 g/mol
LogP3.08
Rot. Bonds6

About methyl 3-[2-(4-acetylphenoxy)propanoylamino]benzoate

methyl 3-[2-(4-acetylphenoxy)propanoylamino]benzoate (PubChem CID 17413178) has the molecular formula C19H19NO5 and a molecular weight of 341.36 g/mol. Its IUPAC name is methyl 3-[2-(4-acetylphenoxy)propanoylamino]benzoate.

Molecular Properties

Compound Namemethyl 3-[2-(4-acetylphenoxy)propanoylamino]benzoate
PubChem CID17413178
Molecular FormulaC19H19NO5
Molecular Weight341.36 g/mol
Exact Mass341.13
IUPAC Namemethyl 3-[2-(4-acetylphenoxy)propanoylamino]benzoate
SMILESCOC(=O)c1cccc(NC(=O)C(C)Oc2ccc(C(C)=O)cc2)c1
InChIInChI=1S/C19H19NO5/c1-12(21)14-7-9-17(10-8-14)25-13(2)18(22)20-16-6-4-5-15(11-16)19(23)24-3/h4-11,13H,1-3H3,(H,20,22)
InChIKeyICAPKVDXSUVYRR-UHFFFAOYSA-N
XLogP3.08
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.36
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-[[(2S)-2-(4-chlorophenoxy)propanoyl]amino]benzoate
CID 2676529
methyl 3-[2-(4-ethoxyphenoxy)propanoylamino]benzoate
CID 53267144
(2S)-2-(4-acetylphenoxy)-N-(3-iodophenyl)propanamide
CID 26517522
methyl 4-[(2S)-1-(3-chloroanilino)-1-oxopropan-2-yl]oxybenzoate
CID 7965118
methyl 3-[(2S)-1-(3-bromoanilino)-1-oxopropan-2-yl]oxybenzoate
CID 26548599
methyl 4-[1-(3-chloroanilino)-1-oxopropan-2-yl]oxybenzoate
CID 78583530
N-(3-acetylphenyl)-2-(3,4-dimethylphenoxy)propanamide
CID 17171686
[(2R)-1-(3-acetylanilino)-1-oxopropan-2-yl] 4-propan-2-yloxybenzoate
CID 2603355
2-(4-acetylphenoxy)-N-(3-cyanophenyl)propanamide
CID 17450699
(2R)-N-(3-acetylphenyl)-2-(4-nitrophenoxy)propanamide
CID 2632124
methyl 3-[[(2R)-2-(4-chloro-3,5-dimethylphenoxy)propanoyl]amino]benzoate
CID 1177997
methyl 4-[(2R)-1-(4-acetamidoanilino)-1-oxopropan-2-yl]oxybenzoate
CID 7965103

Frequently Asked Questions

What is the IUPAC name of methyl 3-[2-(4-acetylphenoxy)propanoylamino]benzoate?
The IUPAC name of methyl 3-[2-(4-acetylphenoxy)propanoylamino]benzoate (CID 17413178) is methyl 3-[2-(4-acetylphenoxy)propanoylamino]benzoate.
What is the SMILES notation for methyl 3-[2-(4-acetylphenoxy)propanoylamino]benzoate?
The canonical SMILES for methyl 3-[2-(4-acetylphenoxy)propanoylamino]benzoate is COC(=O)c1cccc(NC(=O)C(C)Oc2ccc(C(C)=O)cc2)c1.
What is the InChIKey of methyl 3-[2-(4-acetylphenoxy)propanoylamino]benzoate?
The InChIKey is ICAPKVDXSUVYRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO5/c1-12(21)14-7-9-17(10-8-14)25-13(2)18(22)20-16-6-4-5-15(11-16)19(23)24-3/h4-11,13H,1-3H3,(H,20,22).
What are the key properties of methyl 3-[2-(4-acetylphenoxy)propanoylamino]benzoate?
methyl 3-[2-(4-acetylphenoxy)propanoylamino]benzoate has a molecular weight of 341.36 g/mol, XLogP of 3.08, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[2-(4-acetylphenoxy)propanoylamino]benzoate is sourced from PubChem (CID 17413178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).