[2-oxo-2-(4-phenylmethoxyanilino)ethyl] 2-(3-methylphenoxy)acetate

C24H23NO5 — CID 7853518

IUPAC[2-oxo-2-(4-phenylmethoxyanilino)ethyl] 2-(3-methylphenoxy)acetate
SMILESCc1cccc(OCC(=O)OCC(=O)Nc2ccc(OCc3ccccc3)cc2)c1
InChIInChI=1S/C24H23NO5/c1-18-6-5-9-22(14-18)29-17-24(27)30-16-23(26)25-20-10-12-21(13-11-20)28-15-19-7-3-2-4-8-19/h2-14H,15-17H2,1H3,(H,25,26)
InChIKeyYODRWQMGOPOTEX-UHFFFAOYSA-N
MW405.45 g/mol
LogP4.13
Rot. Bonds9

About [2-oxo-2-(4-phenylmethoxyanilino)ethyl] 2-(3-methylphenoxy)acetate

[2-oxo-2-(4-phenylmethoxyanilino)ethyl] 2-(3-methylphenoxy)acetate (PubChem CID 7853518) has the molecular formula C24H23NO5 and a molecular weight of 405.45 g/mol. Its IUPAC name is [2-oxo-2-(4-phenylmethoxyanilino)ethyl] 2-(3-methylphenoxy)acetate.

Molecular Properties

Compound Name[2-oxo-2-(4-phenylmethoxyanilino)ethyl] 2-(3-methylphenoxy)acetate
PubChem CID7853518
Molecular FormulaC24H23NO5
Molecular Weight405.45 g/mol
Exact Mass405.16
IUPAC Name[2-oxo-2-(4-phenylmethoxyanilino)ethyl] 2-(3-methylphenoxy)acetate
SMILESCc1cccc(OCC(=O)OCC(=O)Nc2ccc(OCc3ccccc3)cc2)c1
InChIInChI=1S/C24H23NO5/c1-18-6-5-9-22(14-18)29-17-24(27)30-16-23(26)25-20-10-12-21(13-11-20)28-15-19-7-3-2-4-8-19/h2-14H,15-17H2,1H3,(H,25,26)
InChIKeyYODRWQMGOPOTEX-UHFFFAOYSA-N
XLogP4.13
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.45
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-methylphenyl)-N-(4-phenylmethoxyphenyl)acetamide
CID 113098761
[2-oxo-2-(4-propan-2-ylanilino)ethyl] 2-(3-methylphenoxy)acetate
CID 8910812
2-(3-ethoxyphenoxy)-N-(4-phenylmethoxyphenyl)acetamide
CID 112977838
2-(3,4-dimethylphenoxy)-N-(4-phenylmethoxyphenyl)acetamide
CID 4947508
[2-oxo-2-(4-phenylmethoxyanilino)ethyl] 2-(2-methylphenyl)acetate
CID 7489257
[2-(3-methylanilino)-2-oxoethyl] 2-(4-ethoxyphenoxy)acetate
CID 7606225
[4-(phenylcarbamoyl)phenyl]methyl 2-(3-methylphenoxy)acetate
CID 7853389
[2-[[2-(4-fluoroanilino)-2-oxoethyl]amino]-2-oxoethyl] 2-(3-methylphenoxy)acetate
CID 8911027
2-naphthalen-2-yloxy-N-(4-phenylmethoxyphenyl)acetamide
CID 1352449
[2-oxo-2-(4-phenylmethoxyanilino)ethyl] 3-methoxybenzoate
CID 7703196
methyl 3-oxo-3-(4-phenylmethoxyanilino)propanoate
CID 28638020
N-(3,4-dimethylphenyl)-2-(4-phenylmethoxyphenoxy)acetamide
CID 1132550

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(4-phenylmethoxyanilino)ethyl] 2-(3-methylphenoxy)acetate?
The IUPAC name of [2-oxo-2-(4-phenylmethoxyanilino)ethyl] 2-(3-methylphenoxy)acetate (CID 7853518) is [2-oxo-2-(4-phenylmethoxyanilino)ethyl] 2-(3-methylphenoxy)acetate.
What is the SMILES notation for [2-oxo-2-(4-phenylmethoxyanilino)ethyl] 2-(3-methylphenoxy)acetate?
The canonical SMILES for [2-oxo-2-(4-phenylmethoxyanilino)ethyl] 2-(3-methylphenoxy)acetate is Cc1cccc(OCC(=O)OCC(=O)Nc2ccc(OCc3ccccc3)cc2)c1.
What is the InChIKey of [2-oxo-2-(4-phenylmethoxyanilino)ethyl] 2-(3-methylphenoxy)acetate?
The InChIKey is YODRWQMGOPOTEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23NO5/c1-18-6-5-9-22(14-18)29-17-24(27)30-16-23(26)25-20-10-12-21(13-11-20)28-15-19-7-3-2-4-8-19/h2-14H,15-17H2,1H3,(H,25,26).
What are the key properties of [2-oxo-2-(4-phenylmethoxyanilino)ethyl] 2-(3-methylphenoxy)acetate?
[2-oxo-2-(4-phenylmethoxyanilino)ethyl] 2-(3-methylphenoxy)acetate has a molecular weight of 405.45 g/mol, XLogP of 4.13, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(4-phenylmethoxyanilino)ethyl] 2-(3-methylphenoxy)acetate is sourced from PubChem (CID 7853518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).