[2-[(2-methylphenyl)methylamino]-2-oxoethyl] 2-(4-phenylmethoxyphenoxy)acetate

C25H25NO5 — CID 8575023

IUPAC[2-[(2-methylphenyl)methylamino]-2-oxoethyl] 2-(4-phenylmethoxyphenoxy)acetate
SMILESCc1ccccc1CNC(=O)COC(=O)COc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C25H25NO5/c1-19-7-5-6-10-21(19)15-26-24(27)17-31-25(28)18-30-23-13-11-22(12-14-23)29-16-20-8-3-2-4-9-20/h2-14H,15-18H2,1H3,(H,26,27)
InChIKeyCPFZOLMNJFRUHR-UHFFFAOYSA-N
MW419.48 g/mol
LogP3.81
Rot. Bonds10

About [2-[(2-methylphenyl)methylamino]-2-oxoethyl] 2-(4-phenylmethoxyphenoxy)acetate

[2-[(2-methylphenyl)methylamino]-2-oxoethyl] 2-(4-phenylmethoxyphenoxy)acetate (PubChem CID 8575023) has the molecular formula C25H25NO5 and a molecular weight of 419.48 g/mol. Its IUPAC name is [2-[(2-methylphenyl)methylamino]-2-oxoethyl] 2-(4-phenylmethoxyphenoxy)acetate.

Molecular Properties

Compound Name[2-[(2-methylphenyl)methylamino]-2-oxoethyl] 2-(4-phenylmethoxyphenoxy)acetate
PubChem CID8575023
Molecular FormulaC25H25NO5
Molecular Weight419.48 g/mol
Exact Mass419.17
IUPAC Name[2-[(2-methylphenyl)methylamino]-2-oxoethyl] 2-(4-phenylmethoxyphenoxy)acetate
SMILESCc1ccccc1CNC(=O)COC(=O)COc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C25H25NO5/c1-19-7-5-6-10-21(19)15-26-24(27)17-31-25(28)18-30-23-13-11-22(12-14-23)29-16-20-8-3-2-4-9-20/h2-14H,15-18H2,1H3,(H,26,27)
InChIKeyCPFZOLMNJFRUHR-UHFFFAOYSA-N
XLogP3.81
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.48
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-oxo-2-(4-phenylmethoxyanilino)ethyl] 2-(2-methylphenyl)acetate
CID 7489257
[2-oxo-2-[(4-sulfamoylphenyl)methylamino]ethyl] 2-(4-phenylmethoxyphenoxy)acetate
CID 42981356
[2-(tert-butylamino)-2-oxoethyl] 2-(4-phenylmethoxyphenoxy)acetate
CID 2599347
2-(2-methylphenyl)-N-(4-phenylmethoxyphenyl)acetamide
CID 8573191
N-[(2-methylphenyl)methyl]-2-(N-methylsulfonyl-4-phenylmethoxyanilino)acetamide
CID 2231727
[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 2-(4-methoxyphenoxy)acetate
CID 8905581
[2-oxo-2-(4-phenylmethoxyanilino)ethyl] 2-(3-methylphenoxy)acetate
CID 7853518
[2-(benzylamino)-2-oxoethyl] 2-naphthalen-2-yloxyacetate
CID 2365439
[2-[(2-chlorophenyl)methylamino]-2-oxoethyl] 2-(3,5-dimethylphenoxy)acetate
CID 8912148
[2-oxo-2-[[(2R)-4-phenylbutan-2-yl]amino]ethyl] 2-(4-methylphenoxy)acetate
CID 95795801
[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-phenoxyacetate
CID 2506688
N-[(4-fluorophenyl)methyl]-2-(4-phenylmethoxyphenoxy)acetamide
CID 7478807

Frequently Asked Questions

What is the IUPAC name of [2-[(2-methylphenyl)methylamino]-2-oxoethyl] 2-(4-phenylmethoxyphenoxy)acetate?
The IUPAC name of [2-[(2-methylphenyl)methylamino]-2-oxoethyl] 2-(4-phenylmethoxyphenoxy)acetate (CID 8575023) is [2-[(2-methylphenyl)methylamino]-2-oxoethyl] 2-(4-phenylmethoxyphenoxy)acetate.
What is the SMILES notation for [2-[(2-methylphenyl)methylamino]-2-oxoethyl] 2-(4-phenylmethoxyphenoxy)acetate?
The canonical SMILES for [2-[(2-methylphenyl)methylamino]-2-oxoethyl] 2-(4-phenylmethoxyphenoxy)acetate is Cc1ccccc1CNC(=O)COC(=O)COc1ccc(OCc2ccccc2)cc1.
What is the InChIKey of [2-[(2-methylphenyl)methylamino]-2-oxoethyl] 2-(4-phenylmethoxyphenoxy)acetate?
The InChIKey is CPFZOLMNJFRUHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25NO5/c1-19-7-5-6-10-21(19)15-26-24(27)17-31-25(28)18-30-23-13-11-22(12-14-23)29-16-20-8-3-2-4-9-20/h2-14H,15-18H2,1H3,(H,26,27).
What are the key properties of [2-[(2-methylphenyl)methylamino]-2-oxoethyl] 2-(4-phenylmethoxyphenoxy)acetate?
[2-[(2-methylphenyl)methylamino]-2-oxoethyl] 2-(4-phenylmethoxyphenoxy)acetate has a molecular weight of 419.48 g/mol, XLogP of 3.81, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-methylphenyl)methylamino]-2-oxoethyl] 2-(4-phenylmethoxyphenoxy)acetate is sourced from PubChem (CID 8575023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).