[2-(4-methoxyanilino)-2-oxoethyl] 3-acetamidobenzoate

C18H18N2O5 — CID 2582238

IUPAC[2-(4-methoxyanilino)-2-oxoethyl] 3-acetamidobenzoate
SMILESCOc1ccc(NC(=O)COC(=O)c2cccc(NC(C)=O)c2)cc1
InChIInChI=1S/C18H18N2O5/c1-12(21)19-15-5-3-4-13(10-15)18(23)25-11-17(22)20-14-6-8-16(24-2)9-7-14/h3-10H,11H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyQRBNKBAAGUVYHY-UHFFFAOYSA-N
MW342.35 g/mol
LogP2.45
Rot. Bonds6

About [2-(4-methoxyanilino)-2-oxoethyl] 3-acetamidobenzoate

[2-(4-methoxyanilino)-2-oxoethyl] 3-acetamidobenzoate (PubChem CID 2582238) has the molecular formula C18H18N2O5 and a molecular weight of 342.35 g/mol. Its IUPAC name is [2-(4-methoxyanilino)-2-oxoethyl] 3-acetamidobenzoate.

Molecular Properties

Compound Name[2-(4-methoxyanilino)-2-oxoethyl] 3-acetamidobenzoate
PubChem CID2582238
Molecular FormulaC18H18N2O5
Molecular Weight342.35 g/mol
Exact Mass342.12
IUPAC Name[2-(4-methoxyanilino)-2-oxoethyl] 3-acetamidobenzoate
SMILESCOc1ccc(NC(=O)COC(=O)c2cccc(NC(C)=O)c2)cc1
InChIInChI=1S/C18H18N2O5/c1-12(21)19-15-5-3-4-13(10-15)18(23)25-11-17(22)20-14-6-8-16(24-2)9-7-14/h3-10H,11H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyQRBNKBAAGUVYHY-UHFFFAOYSA-N
XLogP2.45
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.35
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(4-acetamidoanilino)-2-oxoethyl] 3-acetamidobenzoate
CID 2582447
[2-(4-carbamoylanilino)-2-oxoethyl] 3-acetamidobenzoate
CID 2582351
[2-(3-acetylanilino)-2-oxoethyl] 3-acetamidobenzoate
CID 2582150
[2-(3,4-dimethylanilino)-2-oxoethyl] 3-acetamidobenzoate
CID 2582184
[2-(4-acetamidoanilino)-2-oxoethyl] 3-[(2-methylpropan-2-yl)oxycarbonylamino]benzoate
CID 27803985
[2-(4-methoxyanilino)-2-oxoethyl] 3-methylsulfonylbenzoate
CID 2528834
[2-[3-(methylcarbamoyl)anilino]-2-oxoethyl] 3-methoxybenzoate
CID 17396359
(2-anilino-2-oxoethyl) 3-acetylbenzoate
CID 46860675
[2-(4-bromoanilino)-2-oxoethyl] 3-methoxybenzoate
CID 7824538
[2-(3-acetamidoanilino)-2-oxoethyl] 3-fluorobenzoate
CID 8611978
[2-(4-acetamidoanilino)-2-oxoethyl] 3-(difluoromethoxy)benzoate
CID 2512945
[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl] 3-acetamidobenzoate
CID 2581774

Frequently Asked Questions

What is the IUPAC name of [2-(4-methoxyanilino)-2-oxoethyl] 3-acetamidobenzoate?
The IUPAC name of [2-(4-methoxyanilino)-2-oxoethyl] 3-acetamidobenzoate (CID 2582238) is [2-(4-methoxyanilino)-2-oxoethyl] 3-acetamidobenzoate.
What is the SMILES notation for [2-(4-methoxyanilino)-2-oxoethyl] 3-acetamidobenzoate?
The canonical SMILES for [2-(4-methoxyanilino)-2-oxoethyl] 3-acetamidobenzoate is COc1ccc(NC(=O)COC(=O)c2cccc(NC(C)=O)c2)cc1.
What is the InChIKey of [2-(4-methoxyanilino)-2-oxoethyl] 3-acetamidobenzoate?
The InChIKey is QRBNKBAAGUVYHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O5/c1-12(21)19-15-5-3-4-13(10-15)18(23)25-11-17(22)20-14-6-8-16(24-2)9-7-14/h3-10H,11H2,1-2H3,(H,19,21)(H,20,22).
What are the key properties of [2-(4-methoxyanilino)-2-oxoethyl] 3-acetamidobenzoate?
[2-(4-methoxyanilino)-2-oxoethyl] 3-acetamidobenzoate has a molecular weight of 342.35 g/mol, XLogP of 2.45, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methoxyanilino)-2-oxoethyl] 3-acetamidobenzoate is sourced from PubChem (CID 2582238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).