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

C19H21NO5 — CID 7695236

IUPACmethyl 2-[4-[2-(4-ethoxyanilino)-2-oxoethoxy]phenyl]acetate
SMILESCCOc1ccc(NC(=O)COc2ccc(CC(=O)OC)cc2)cc1
InChIInChI=1S/C19H21NO5/c1-3-24-16-10-6-15(7-11-16)20-18(21)13-25-17-8-4-14(5-9-17)12-19(22)23-2/h4-11H,3,12-13H2,1-2H3,(H,20,21)
InChIKeyCFPJSFXULYPKGW-UHFFFAOYSA-N
MW343.38 g/mol
LogP2.82
Rot. Bonds8

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

methyl 2-[4-[2-(4-ethoxyanilino)-2-oxoethoxy]phenyl]acetate (PubChem CID 7695236) has the molecular formula C19H21NO5 and a molecular weight of 343.38 g/mol. Its IUPAC name is methyl 2-[4-[2-(4-ethoxyanilino)-2-oxoethoxy]phenyl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-[2-(4-ethoxyanilino)-2-oxoethoxy]phenyl]acetate
PubChem CID7695236
Molecular FormulaC19H21NO5
Molecular Weight343.38 g/mol
Exact Mass343.14
IUPAC Namemethyl 2-[4-[2-(4-ethoxyanilino)-2-oxoethoxy]phenyl]acetate
SMILESCCOc1ccc(NC(=O)COc2ccc(CC(=O)OC)cc2)cc1
InChIInChI=1S/C19H21NO5/c1-3-24-16-10-6-15(7-11-16)20-18(21)13-25-17-8-4-14(5-9-17)12-19(22)23-2/h4-11H,3,12-13H2,1-2H3,(H,20,21)
InChIKeyCFPJSFXULYPKGW-UHFFFAOYSA-N
XLogP2.82
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[4-[2-(4-tert-butylanilino)-2-oxoethoxy]phenyl]acetate
CID 7695156
methyl 2-[4-[2-(4-acetylanilino)-2-oxoethoxy]phenyl]acetate
CID 7695234
methyl 2-[4-[2-(4-carbamoylanilino)-2-oxoethoxy]phenyl]acetate
CID 7695222
methyl 2-[4-[2-(3,4-dimethoxyanilino)-2-oxoethoxy]phenyl]acetate
CID 7695230
[2-(4-fluoroanilino)-2-oxoethyl] 2-(4-ethoxyphenyl)acetate
CID 71820864
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-(4-ethoxyphenoxy)anilino]-2-oxoethyl] 2-(4-hydroxyphenyl)acetate
CID 8672077
methyl 2-[[2-[4-[[2-(4-propoxyphenoxy)acetyl]amino]phenyl]acetyl]amino]acetate
CID 55781621
[2-(4-ethoxyanilino)-2-oxoethyl] 2-(4-ethylphenoxy)acetate
CID 9272649
methyl 2-[4-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]amino]phenyl]acetate
CID 17296544
methyl 2-[[4-[[2-(4-ethoxyphenoxy)acetyl]amino]benzoyl]amino]acetate
CID 46637026

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-[2-(4-ethoxyanilino)-2-oxoethoxy]phenyl]acetate?
The IUPAC name of methyl 2-[4-[2-(4-ethoxyanilino)-2-oxoethoxy]phenyl]acetate (CID 7695236) is methyl 2-[4-[2-(4-ethoxyanilino)-2-oxoethoxy]phenyl]acetate.
What is the SMILES notation for methyl 2-[4-[2-(4-ethoxyanilino)-2-oxoethoxy]phenyl]acetate?
The canonical SMILES for methyl 2-[4-[2-(4-ethoxyanilino)-2-oxoethoxy]phenyl]acetate is CCOc1ccc(NC(=O)COc2ccc(CC(=O)OC)cc2)cc1.
What is the InChIKey of methyl 2-[4-[2-(4-ethoxyanilino)-2-oxoethoxy]phenyl]acetate?
The InChIKey is CFPJSFXULYPKGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO5/c1-3-24-16-10-6-15(7-11-16)20-18(21)13-25-17-8-4-14(5-9-17)12-19(22)23-2/h4-11H,3,12-13H2,1-2H3,(H,20,21).
What are the key properties of methyl 2-[4-[2-(4-ethoxyanilino)-2-oxoethoxy]phenyl]acetate?
methyl 2-[4-[2-(4-ethoxyanilino)-2-oxoethoxy]phenyl]acetate has a molecular weight of 343.38 g/mol, XLogP of 2.82, 8 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-ethoxyanilino)-2-oxoethoxy]phenyl]acetate is sourced from PubChem (CID 7695236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).