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

C24H23NO5 — CID 9139029

IUPAC[2-(N-methylanilino)-2-oxoethyl] 2-(4-phenylmethoxyphenoxy)acetate
SMILESCN(C(=O)COC(=O)COc1ccc(OCc2ccccc2)cc1)c1ccccc1
InChIInChI=1S/C24H23NO5/c1-25(20-10-6-3-7-11-20)23(26)17-30-24(27)18-29-22-14-12-21(13-15-22)28-16-19-8-4-2-5-9-19/h2-15H,16-18H2,1H3
InChIKeyIOEQOEUXQCUPOL-UHFFFAOYSA-N
MW405.45 g/mol
LogP3.85
Rot. Bonds9

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

[2-(N-methylanilino)-2-oxoethyl] 2-(4-phenylmethoxyphenoxy)acetate (PubChem CID 9139029) has the molecular formula C24H23NO5 and a molecular weight of 405.45 g/mol. Its IUPAC name is [2-(N-methylanilino)-2-oxoethyl] 2-(4-phenylmethoxyphenoxy)acetate.

Molecular Properties

Compound Name[2-(N-methylanilino)-2-oxoethyl] 2-(4-phenylmethoxyphenoxy)acetate
PubChem CID9139029
Molecular FormulaC24H23NO5
Molecular Weight405.45 g/mol
Exact Mass405.16
IUPAC Name[2-(N-methylanilino)-2-oxoethyl] 2-(4-phenylmethoxyphenoxy)acetate
SMILESCN(C(=O)COC(=O)COc1ccc(OCc2ccccc2)cc1)c1ccccc1
InChIInChI=1S/C24H23NO5/c1-25(20-10-6-3-7-11-20)23(26)17-30-24(27)18-29-22-14-12-21(13-15-22)28-16-19-8-4-2-5-9-19/h2-15H,16-18H2,1H3
InChIKeyIOEQOEUXQCUPOL-UHFFFAOYSA-N
XLogP3.85
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.45
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(N-methylanilino)-2-oxoethyl] 2-(4-methoxyphenoxy)acetate
CID 2365643
[(2S)-1-(N-methylanilino)-1-oxopropan-2-yl] 2-(4-phenylmethoxyphenoxy)acetate
CID 7839766
[2-[2-cyanopropan-2-yl(methyl)amino]-2-oxoethyl] 2-(4-phenylmethoxyphenoxy)acetate
CID 8575022
[2-(N-methylanilino)-2-oxoethyl] 2-(2,3-dihydro-1H-inden-5-yloxy)acetate
CID 2613978
[2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl] 2-(4-phenylmethoxyphenoxy)acetate
CID 8575019
[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl] 2-(4-phenylmethoxyphenoxy)acetate
CID 9139034
2-cyano-N-methyl-N-(4-phenylmethoxyphenyl)acetamide
CID 99824506
2-(4-bromophenoxy)-N-methyl-N-phenylacetamide
CID 888242
N-methyl-N-phenyl-3-(4-phenylmethoxyanilino)propanamide
CID 109034597
[2-(tert-butylamino)-2-oxoethyl] 2-(4-phenylmethoxyphenoxy)acetate
CID 2599347
N-methyl-2-(2-oxo-1-pyridinyl)-N-(4-phenylmethoxyphenyl)acetamide
CID 100636546
2-[3-(aminomethyl)phenoxy]-N-methyl-N-phenylacetamide
CID 106485204

Frequently Asked Questions

What is the IUPAC name of [2-(N-methylanilino)-2-oxoethyl] 2-(4-phenylmethoxyphenoxy)acetate?
The IUPAC name of [2-(N-methylanilino)-2-oxoethyl] 2-(4-phenylmethoxyphenoxy)acetate (CID 9139029) is [2-(N-methylanilino)-2-oxoethyl] 2-(4-phenylmethoxyphenoxy)acetate.
What is the SMILES notation for [2-(N-methylanilino)-2-oxoethyl] 2-(4-phenylmethoxyphenoxy)acetate?
The canonical SMILES for [2-(N-methylanilino)-2-oxoethyl] 2-(4-phenylmethoxyphenoxy)acetate is CN(C(=O)COC(=O)COc1ccc(OCc2ccccc2)cc1)c1ccccc1.
What is the InChIKey of [2-(N-methylanilino)-2-oxoethyl] 2-(4-phenylmethoxyphenoxy)acetate?
The InChIKey is IOEQOEUXQCUPOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23NO5/c1-25(20-10-6-3-7-11-20)23(26)17-30-24(27)18-29-22-14-12-21(13-15-22)28-16-19-8-4-2-5-9-19/h2-15H,16-18H2,1H3.
What are the key properties of [2-(N-methylanilino)-2-oxoethyl] 2-(4-phenylmethoxyphenoxy)acetate?
[2-(N-methylanilino)-2-oxoethyl] 2-(4-phenylmethoxyphenoxy)acetate has a molecular weight of 405.45 g/mol, XLogP of 3.85, 9 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-phenylmethoxyphenoxy)acetate is sourced from PubChem (CID 9139029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).