[2-(N-methylanilino)-2-oxoethyl] 2-(4-methoxyphenoxy)acetate

C18H19NO5 — CID 2365643

IUPAC[2-(N-methylanilino)-2-oxoethyl] 2-(4-methoxyphenoxy)acetate
SMILESCOc1ccc(OCC(=O)OCC(=O)N(C)c2ccccc2)cc1
InChIInChI=1S/C18H19NO5/c1-19(14-6-4-3-5-7-14)17(20)12-24-18(21)13-23-16-10-8-15(22-2)9-11-16/h3-11H,12-13H2,1-2H3
InChIKeyYZTGQKXDSJEBIO-UHFFFAOYSA-N
MW329.35 g/mol
LogP2.28
Rot. Bonds7

About [2-(N-methylanilino)-2-oxoethyl] 2-(4-methoxyphenoxy)acetate

[2-(N-methylanilino)-2-oxoethyl] 2-(4-methoxyphenoxy)acetate (PubChem CID 2365643) has the molecular formula C18H19NO5 and a molecular weight of 329.35 g/mol. Its IUPAC name is [2-(N-methylanilino)-2-oxoethyl] 2-(4-methoxyphenoxy)acetate.

Molecular Properties

Compound Name[2-(N-methylanilino)-2-oxoethyl] 2-(4-methoxyphenoxy)acetate
PubChem CID2365643
Molecular FormulaC18H19NO5
Molecular Weight329.35 g/mol
Exact Mass329.13
IUPAC Name[2-(N-methylanilino)-2-oxoethyl] 2-(4-methoxyphenoxy)acetate
SMILESCOc1ccc(OCC(=O)OCC(=O)N(C)c2ccccc2)cc1
InChIInChI=1S/C18H19NO5/c1-19(14-6-4-3-5-7-14)17(20)12-24-18(21)13-23-16-10-8-15(22-2)9-11-16/h3-11H,12-13H2,1-2H3
InChIKeyYZTGQKXDSJEBIO-UHFFFAOYSA-N
XLogP2.28
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.35
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(N-methylanilino)-2-oxoethyl] 2-(4-phenylmethoxyphenoxy)acetate
CID 9139029
[2-(N-methylanilino)-2-oxoethyl] 2-[(E)-(4-methoxyphenyl)methylideneamino]oxyacetate
CID 42901512
[2-(N-methylanilino)-2-oxoethyl] 2-(2,3-dihydro-1H-inden-5-yloxy)acetate
CID 2613978
[2-(N-ethylanilino)-2-oxoethyl] 3-(4-methoxyphenoxy)propanoate
CID 2375807
2-(4-bromophenoxy)-N-methyl-N-phenylacetamide
CID 888242
N-ethyl-2-(4-methoxyphenoxy)-N-phenylacetamide
CID 922695
N-methyl-N-phenyl-2-(4-propanoylphenoxy)acetamide
CID 78760468
[2-(N-(2-ethoxy-2-oxoethyl)anilino)-2-oxoethyl] 4-(4-methoxyphenoxy)butanoate
CID 55306615
[2-[1,3-benzothiazol-2-yl(ethyl)amino]-2-oxoethyl] 2-(4-methoxyphenoxy)acetate
CID 28569671
2-[acetyl-[2-(4-methoxyphenoxy)ethyl]amino]-N-methyl-N-phenylacetamide
CID 113165999
[2-[benzyl(methyl)amino]-2-oxoethyl] 3-(4-methoxyphenoxy)propanoate
CID 2381043
[2-(benzhydrylamino)-2-oxoethyl] 2-(4-methoxyphenoxy)acetate
CID 2592473

Frequently Asked Questions

What is the IUPAC name of [2-(N-methylanilino)-2-oxoethyl] 2-(4-methoxyphenoxy)acetate?
The IUPAC name of [2-(N-methylanilino)-2-oxoethyl] 2-(4-methoxyphenoxy)acetate (CID 2365643) is [2-(N-methylanilino)-2-oxoethyl] 2-(4-methoxyphenoxy)acetate.
What is the SMILES notation for [2-(N-methylanilino)-2-oxoethyl] 2-(4-methoxyphenoxy)acetate?
The canonical SMILES for [2-(N-methylanilino)-2-oxoethyl] 2-(4-methoxyphenoxy)acetate is COc1ccc(OCC(=O)OCC(=O)N(C)c2ccccc2)cc1.
What is the InChIKey of [2-(N-methylanilino)-2-oxoethyl] 2-(4-methoxyphenoxy)acetate?
The InChIKey is YZTGQKXDSJEBIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO5/c1-19(14-6-4-3-5-7-14)17(20)12-24-18(21)13-23-16-10-8-15(22-2)9-11-16/h3-11H,12-13H2,1-2H3.
What are the key properties of [2-(N-methylanilino)-2-oxoethyl] 2-(4-methoxyphenoxy)acetate?
[2-(N-methylanilino)-2-oxoethyl] 2-(4-methoxyphenoxy)acetate has a molecular weight of 329.35 g/mol, XLogP of 2.28, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(N-methylanilino)-2-oxoethyl] 2-(4-methoxyphenoxy)acetate is sourced from PubChem (CID 2365643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).