[2-(2-methoxyanilino)-2-oxoethyl] 3-acetylbenzoate

C18H17NO5 — CID 46860686

IUPAC[2-(2-methoxyanilino)-2-oxoethyl] 3-acetylbenzoate
SMILESCOc1ccccc1NC(=O)COC(=O)c1cccc(C(C)=O)c1
InChIInChI=1S/C18H17NO5/c1-12(20)13-6-5-7-14(10-13)18(22)24-11-17(21)19-15-8-3-4-9-16(15)23-2/h3-10H,11H2,1-2H3,(H,19,21)
InChIKeyVMRNLELOGYXOCF-UHFFFAOYSA-N
MW327.34 g/mol
LogP2.69
Rot. Bonds6

About [2-(2-methoxyanilino)-2-oxoethyl] 3-acetylbenzoate

[2-(2-methoxyanilino)-2-oxoethyl] 3-acetylbenzoate (PubChem CID 46860686) has the molecular formula C18H17NO5 and a molecular weight of 327.34 g/mol. Its IUPAC name is [2-(2-methoxyanilino)-2-oxoethyl] 3-acetylbenzoate.

Molecular Properties

Compound Name[2-(2-methoxyanilino)-2-oxoethyl] 3-acetylbenzoate
PubChem CID46860686
Molecular FormulaC18H17NO5
Molecular Weight327.34 g/mol
Exact Mass327.11
IUPAC Name[2-(2-methoxyanilino)-2-oxoethyl] 3-acetylbenzoate
SMILESCOc1ccccc1NC(=O)COC(=O)c1cccc(C(C)=O)c1
InChIInChI=1S/C18H17NO5/c1-12(20)13-6-5-7-14(10-13)18(22)24-11-17(21)19-15-8-3-4-9-16(15)23-2/h3-10H,11H2,1-2H3,(H,19,21)
InChIKeyVMRNLELOGYXOCF-UHFFFAOYSA-N
XLogP2.69
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.34
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(2-ethoxyanilino)-2-oxoethyl] 3-acetylbenzoate
CID 46860693
[2-(2-methoxyanilino)-2-oxoethyl] 3-cyanobenzoate
CID 2626277
3-O-[2-(2-ethoxyanilino)-2-oxoethyl] 1-O-methyl benzene-1,3-dicarboxylate
CID 46860631
(2-anilino-2-oxoethyl) 3-acetylbenzoate
CID 46860675
[2-(2,5-difluoroanilino)-2-oxoethyl] 3-acetylbenzoate
CID 46860704
[2-(2-methoxyanilino)-2-oxoethyl] 3-[methyl(phenyl)sulfamoyl]benzoate
CID 2348338
[2-(3-acetylanilino)-2-oxoethyl] 3-acetamidobenzoate
CID 2582150
3-O-[2-(5-chloro-2,4-dimethoxyanilino)-2-oxoethyl] 1-O-methyl benzene-1,3-dicarboxylate
CID 46860657
[2-oxo-2-(propylamino)ethyl] 3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]benzoate
CID 3375002
[2-oxo-2-(2-phenoxyanilino)ethyl] 3-amino-4-methoxybenzoate
CID 71863645
[2-(2-methoxyanilino)-2-oxoethyl] 3-oxo-4H-1,4-benzothiazine-6-carboxylate
CID 7292138
[2-(2-methoxyanilino)-2-oxoethyl] 2,3-bis(furan-2-yl)quinoxaline-6-carboxylate
CID 23915622

Frequently Asked Questions

What is the IUPAC name of [2-(2-methoxyanilino)-2-oxoethyl] 3-acetylbenzoate?
The IUPAC name of [2-(2-methoxyanilino)-2-oxoethyl] 3-acetylbenzoate (CID 46860686) is [2-(2-methoxyanilino)-2-oxoethyl] 3-acetylbenzoate.
What is the SMILES notation for [2-(2-methoxyanilino)-2-oxoethyl] 3-acetylbenzoate?
The canonical SMILES for [2-(2-methoxyanilino)-2-oxoethyl] 3-acetylbenzoate is COc1ccccc1NC(=O)COC(=O)c1cccc(C(C)=O)c1.
What is the InChIKey of [2-(2-methoxyanilino)-2-oxoethyl] 3-acetylbenzoate?
The InChIKey is VMRNLELOGYXOCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO5/c1-12(20)13-6-5-7-14(10-13)18(22)24-11-17(21)19-15-8-3-4-9-16(15)23-2/h3-10H,11H2,1-2H3,(H,19,21).
What are the key properties of [2-(2-methoxyanilino)-2-oxoethyl] 3-acetylbenzoate?
[2-(2-methoxyanilino)-2-oxoethyl] 3-acetylbenzoate has a molecular weight of 327.34 g/mol, XLogP of 2.69, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methoxyanilino)-2-oxoethyl] 3-acetylbenzoate is sourced from PubChem (CID 46860686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).