methyl 2-[4-[2-(4-acetylanilino)-2-oxoethoxy]phenyl]acetate

C19H19NO5 — CID 7695234

IUPACmethyl 2-[4-[2-(4-acetylanilino)-2-oxoethoxy]phenyl]acetate
SMILESCOC(=O)Cc1ccc(OCC(=O)Nc2ccc(C(C)=O)cc2)cc1
InChIInChI=1S/C19H19NO5/c1-13(21)15-5-7-16(8-6-15)20-18(22)12-25-17-9-3-14(4-10-17)11-19(23)24-2/h3-10H,11-12H2,1-2H3,(H,20,22)
InChIKeyGGOTXBONICIMCS-UHFFFAOYSA-N
MW341.36 g/mol
LogP2.62
Rot. Bonds7

About methyl 2-[4-[2-(4-acetylanilino)-2-oxoethoxy]phenyl]acetate

methyl 2-[4-[2-(4-acetylanilino)-2-oxoethoxy]phenyl]acetate (PubChem CID 7695234) has the molecular formula C19H19NO5 and a molecular weight of 341.36 g/mol. Its IUPAC name is methyl 2-[4-[2-(4-acetylanilino)-2-oxoethoxy]phenyl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-[2-(4-acetylanilino)-2-oxoethoxy]phenyl]acetate
PubChem CID7695234
Molecular FormulaC19H19NO5
Molecular Weight341.36 g/mol
Exact Mass341.13
IUPAC Namemethyl 2-[4-[2-(4-acetylanilino)-2-oxoethoxy]phenyl]acetate
SMILESCOC(=O)Cc1ccc(OCC(=O)Nc2ccc(C(C)=O)cc2)cc1
InChIInChI=1S/C19H19NO5/c1-13(21)15-5-7-16(8-6-15)20-18(22)12-25-17-9-3-14(4-10-17)11-19(23)24-2/h3-10H,11-12H2,1-2H3,(H,20,22)
InChIKeyGGOTXBONICIMCS-UHFFFAOYSA-N
XLogP2.62
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 ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[4-[2-(4-carbamoylanilino)-2-oxoethoxy]phenyl]acetate
CID 7695222
methyl 2-[4-[2-(4-ethoxyanilino)-2-oxoethoxy]phenyl]acetate
CID 7695236
methyl 2-[4-[2-(4-tert-butylanilino)-2-oxoethoxy]phenyl]acetate
CID 7695156
N-[4-[[2-(4-acetylphenoxy)acetyl]amino]phenyl]-2-methylpropanamide
CID 26907063
methyl 2-[4-[2-(3,4-dimethoxyanilino)-2-oxoethoxy]phenyl]acetate
CID 7695230
methyl 2-[4-[2-(3,5-dichloroanilino)-2-oxoethoxy]phenyl]acetate
CID 7695186
methyl 2-[4-[2-(4-bromo-3-methylanilino)-2-oxoethoxy]phenyl]acetate
CID 7695168
2-(4-acetylphenoxy)-N-[4-(cyanomethoxy)phenyl]acetamide
CID 30873439
2-(4-acetylphenoxy)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 2621495
methyl 2-[4-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]amino]phenyl]acetate
CID 17296544
2-(4-acetylphenoxy)-N-(3,5-dimethoxyphenyl)acetamide
CID 2384611
2-(4-acetamidophenoxy)-N-(4-acetamidophenyl)acetamide
CID 7203623

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-[2-(4-acetylanilino)-2-oxoethoxy]phenyl]acetate?
The IUPAC name of methyl 2-[4-[2-(4-acetylanilino)-2-oxoethoxy]phenyl]acetate (CID 7695234) is methyl 2-[4-[2-(4-acetylanilino)-2-oxoethoxy]phenyl]acetate.
What is the SMILES notation for methyl 2-[4-[2-(4-acetylanilino)-2-oxoethoxy]phenyl]acetate?
The canonical SMILES for methyl 2-[4-[2-(4-acetylanilino)-2-oxoethoxy]phenyl]acetate is COC(=O)Cc1ccc(OCC(=O)Nc2ccc(C(C)=O)cc2)cc1.
What is the InChIKey of methyl 2-[4-[2-(4-acetylanilino)-2-oxoethoxy]phenyl]acetate?
The InChIKey is GGOTXBONICIMCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO5/c1-13(21)15-5-7-16(8-6-15)20-18(22)12-25-17-9-3-14(4-10-17)11-19(23)24-2/h3-10H,11-12H2,1-2H3,(H,20,22).
What are the key properties of methyl 2-[4-[2-(4-acetylanilino)-2-oxoethoxy]phenyl]acetate?
methyl 2-[4-[2-(4-acetylanilino)-2-oxoethoxy]phenyl]acetate has a molecular weight of 341.36 g/mol, XLogP of 2.62, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-[2-(4-acetylanilino)-2-oxoethoxy]phenyl]acetate is sourced from PubChem (CID 7695234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).