[2-(2-methoxyphenyl)-2-oxoethyl] 4-(acetamidomethyl)benzoate

C19H19NO5 — CID 18195526

IUPAC[2-(2-methoxyphenyl)-2-oxoethyl] 4-(acetamidomethyl)benzoate
SMILESCOc1ccccc1C(=O)COC(=O)c1ccc(CNC(C)=O)cc1
InChIInChI=1S/C19H19NO5/c1-13(21)20-11-14-7-9-15(10-8-14)19(23)25-12-17(22)16-5-3-4-6-18(16)24-2/h3-10H,11-12H2,1-2H3,(H,20,21)
InChIKeyKNCZRMNKVVUBJD-UHFFFAOYSA-N
MW341.36 g/mol
LogP2.37
Rot. Bonds7

About [2-(2-methoxyphenyl)-2-oxoethyl] 4-(acetamidomethyl)benzoate

[2-(2-methoxyphenyl)-2-oxoethyl] 4-(acetamidomethyl)benzoate (PubChem CID 18195526) has the molecular formula C19H19NO5 and a molecular weight of 341.36 g/mol. Its IUPAC name is [2-(2-methoxyphenyl)-2-oxoethyl] 4-(acetamidomethyl)benzoate.

Molecular Properties

Compound Name[2-(2-methoxyphenyl)-2-oxoethyl] 4-(acetamidomethyl)benzoate
PubChem CID18195526
Molecular FormulaC19H19NO5
Molecular Weight341.36 g/mol
Exact Mass341.13
IUPAC Name[2-(2-methoxyphenyl)-2-oxoethyl] 4-(acetamidomethyl)benzoate
SMILESCOc1ccccc1C(=O)COC(=O)c1ccc(CNC(C)=O)cc1
InChIInChI=1S/C19H19NO5/c1-13(21)20-11-14-7-9-15(10-8-14)19(23)25-12-17(22)16-5-3-4-6-18(16)24-2/h3-10H,11-12H2,1-2H3,(H,20,21)
InChIKeyKNCZRMNKVVUBJD-UHFFFAOYSA-N
XLogP2.37
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.36
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [2-(2-methoxyphenyl)-2-oxoethyl] 4-(acetamidomethyl)benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-(2-methoxyphenyl)-2-oxoethyl] 4-bromobenzoate
CID 2357062
[2-(2-methoxyphenyl)-2-oxoethyl] 2-methoxybenzoate
CID 7811189
N-[2-(2-methoxyphenyl)-2-oxoethyl]acetamide
CID 12945637
[2-[4-(acetamidomethyl)phenyl]-2-oxoethyl] 3-(2-methoxyphenyl)propanoate
CID 9455619
[2-(methylamino)-2-oxoethyl] 4-(acetamidomethyl)benzoate
CID 18195544
[2-(2-methoxyphenyl)-2-oxoethyl] 4-(1,2,4-triazol-1-ylmethyl)benzoate
CID 18141816
[2-[4-(3-acetamidopropyl)phenyl]-2-oxoethyl] 4-(acetamidomethyl)benzoate
CID 30996024
[2-(ethylamino)-2-oxoethyl] 4-(acetamidomethyl)benzoate
CID 18195545
[2-(2-methoxyphenyl)-2-oxoethyl] 4-(difluoromethylsulfonyl)benzoate
CID 7679711
[2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl] 4-(acetamidomethyl)benzoate
CID 46818951
[2-(2-methoxyphenyl)-2-oxoethyl] 3-(benzylsulfamoyl)benzoate
CID 16520940
[2-(2-methoxyphenyl)-2-oxoethyl] 4-methoxynaphthalene-1-carboxylate
CID 8596344

Frequently Asked Questions

What is the IUPAC name of [2-(2-methoxyphenyl)-2-oxoethyl] 4-(acetamidomethyl)benzoate?
The IUPAC name of [2-(2-methoxyphenyl)-2-oxoethyl] 4-(acetamidomethyl)benzoate (CID 18195526) is [2-(2-methoxyphenyl)-2-oxoethyl] 4-(acetamidomethyl)benzoate.
What is the SMILES notation for [2-(2-methoxyphenyl)-2-oxoethyl] 4-(acetamidomethyl)benzoate?
The canonical SMILES for [2-(2-methoxyphenyl)-2-oxoethyl] 4-(acetamidomethyl)benzoate is COc1ccccc1C(=O)COC(=O)c1ccc(CNC(C)=O)cc1.
What is the InChIKey of [2-(2-methoxyphenyl)-2-oxoethyl] 4-(acetamidomethyl)benzoate?
The InChIKey is KNCZRMNKVVUBJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO5/c1-13(21)20-11-14-7-9-15(10-8-14)19(23)25-12-17(22)16-5-3-4-6-18(16)24-2/h3-10H,11-12H2,1-2H3,(H,20,21).
What are the key properties of [2-(2-methoxyphenyl)-2-oxoethyl] 4-(acetamidomethyl)benzoate?
[2-(2-methoxyphenyl)-2-oxoethyl] 4-(acetamidomethyl)benzoate has a molecular weight of 341.36 g/mol, XLogP of 2.37, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methoxyphenyl)-2-oxoethyl] 4-(acetamidomethyl)benzoate is sourced from PubChem (CID 18195526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).