[2-(4-methoxyanilino)-2-oxoethyl] 2-hydroxy-3-methoxybenzoate

C17H17NO6 — CID 18075546

IUPAC[2-(4-methoxyanilino)-2-oxoethyl] 2-hydroxy-3-methoxybenzoate
SMILESCOc1ccc(NC(=O)COC(=O)c2cccc(OC)c2O)cc1
InChIInChI=1S/C17H17NO6/c1-22-12-8-6-11(7-9-12)18-15(19)10-24-17(21)13-4-3-5-14(23-2)16(13)20/h3-9,20H,10H2,1-2H3,(H,18,19)
InChIKeyCXTPJTNYCJYLRC-UHFFFAOYSA-N
MW331.32 g/mol
LogP2.20
Rot. Bonds6

About [2-(4-methoxyanilino)-2-oxoethyl] 2-hydroxy-3-methoxybenzoate

[2-(4-methoxyanilino)-2-oxoethyl] 2-hydroxy-3-methoxybenzoate (PubChem CID 18075546) has the molecular formula C17H17NO6 and a molecular weight of 331.32 g/mol. Its IUPAC name is [2-(4-methoxyanilino)-2-oxoethyl] 2-hydroxy-3-methoxybenzoate.

Molecular Properties

Compound Name[2-(4-methoxyanilino)-2-oxoethyl] 2-hydroxy-3-methoxybenzoate
PubChem CID18075546
Molecular FormulaC17H17NO6
Molecular Weight331.32 g/mol
Exact Mass331.11
IUPAC Name[2-(4-methoxyanilino)-2-oxoethyl] 2-hydroxy-3-methoxybenzoate
SMILESCOc1ccc(NC(=O)COC(=O)c2cccc(OC)c2O)cc1
InChIInChI=1S/C17H17NO6/c1-22-12-8-6-11(7-9-12)18-15(19)10-24-17(21)13-4-3-5-14(23-2)16(13)20/h3-9,20H,10H2,1-2H3,(H,18,19)
InChIKeyCXTPJTNYCJYLRC-UHFFFAOYSA-N
XLogP2.20
TPSA94.09 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.32
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [2-(4-methoxyanilino)-2-oxoethyl] 2-hydroxy-3-methoxybenzoate with MolForge

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Related Compounds

[2-(4-methoxyanilino)-2-oxoethyl] 2,3-dimethoxybenzoate
CID 2503626
[2-(3,4-difluoroanilino)-2-oxoethyl] 2-hydroxy-3-methoxybenzoate
CID 18075540
2-O-[2-(4-methoxyanilino)-2-oxoethyl] 1-O-methyl benzene-1,2-dicarboxylate
CID 56505239
[2-(methylamino)-2-oxoethyl] 2-hydroxy-3-methoxybenzoate
CID 18075718
[2-(4-methoxyanilino)-2-oxoethyl] 2,3,4-trimethoxybenzoate
CID 2522313
[2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 2-hydroxy-3-methoxybenzoate
CID 24687138
[2-(4-methoxyanilino)-2-oxoethyl] 2-methylsulfanylbenzoate
CID 2540210
[2-(3-methoxyanilino)-2-oxoethyl] 2,5-dimethoxybenzoate
CID 7586721
[2-(3,4-dimethoxyanilino)-2-oxoethyl] 2-hydroxy-3-methylbenzoate
CID 2578358
[2-oxo-2-(pentan-3-ylamino)ethyl] 2-hydroxy-3-methoxybenzoate
CID 18075722
(2-anilino-2-oxoethyl) 2,4-dimethoxybenzoate
CID 2409406
[2-(4-methoxyanilino)-2-oxoethyl] 2-benzylbenzoate
CID 2334495

Frequently Asked Questions

What is the IUPAC name of [2-(4-methoxyanilino)-2-oxoethyl] 2-hydroxy-3-methoxybenzoate?
The IUPAC name of [2-(4-methoxyanilino)-2-oxoethyl] 2-hydroxy-3-methoxybenzoate (CID 18075546) is [2-(4-methoxyanilino)-2-oxoethyl] 2-hydroxy-3-methoxybenzoate.
What is the SMILES notation for [2-(4-methoxyanilino)-2-oxoethyl] 2-hydroxy-3-methoxybenzoate?
The canonical SMILES for [2-(4-methoxyanilino)-2-oxoethyl] 2-hydroxy-3-methoxybenzoate is COc1ccc(NC(=O)COC(=O)c2cccc(OC)c2O)cc1.
What is the InChIKey of [2-(4-methoxyanilino)-2-oxoethyl] 2-hydroxy-3-methoxybenzoate?
The InChIKey is CXTPJTNYCJYLRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO6/c1-22-12-8-6-11(7-9-12)18-15(19)10-24-17(21)13-4-3-5-14(23-2)16(13)20/h3-9,20H,10H2,1-2H3,(H,18,19).
What are the key properties of [2-(4-methoxyanilino)-2-oxoethyl] 2-hydroxy-3-methoxybenzoate?
[2-(4-methoxyanilino)-2-oxoethyl] 2-hydroxy-3-methoxybenzoate has a molecular weight of 331.32 g/mol, XLogP of 2.20, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methoxyanilino)-2-oxoethyl] 2-hydroxy-3-methoxybenzoate is sourced from PubChem (CID 18075546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).