[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 2-(2-benzylphenoxy)acetate

C25H25NO5 — CID 9329385

IUPAC[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 2-(2-benzylphenoxy)acetate
SMILESCOc1ccccc1CNC(=O)COC(=O)COc1ccccc1Cc1ccccc1
InChIInChI=1S/C25H25NO5/c1-29-22-13-7-6-12-21(22)16-26-24(27)17-31-25(28)18-30-23-14-8-5-11-20(23)15-19-9-3-2-4-10-19/h2-14H,15-18H2,1H3,(H,26,27)
InChIKeyJLBSUVVQFSLDGN-UHFFFAOYSA-N
MW419.48 g/mol
LogP3.52
Rot. Bonds10

About [2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 2-(2-benzylphenoxy)acetate

[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 2-(2-benzylphenoxy)acetate (PubChem CID 9329385) has the molecular formula C25H25NO5 and a molecular weight of 419.48 g/mol. Its IUPAC name is [2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 2-(2-benzylphenoxy)acetate.

Molecular Properties

Compound Name[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 2-(2-benzylphenoxy)acetate
PubChem CID9329385
Molecular FormulaC25H25NO5
Molecular Weight419.48 g/mol
Exact Mass419.17
IUPAC Name[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 2-(2-benzylphenoxy)acetate
SMILESCOc1ccccc1CNC(=O)COC(=O)COc1ccccc1Cc1ccccc1
InChIInChI=1S/C25H25NO5/c1-29-22-13-7-6-12-21(22)16-26-24(27)17-31-25(28)18-30-23-14-8-5-11-20(23)15-19-9-3-2-4-10-19/h2-14H,15-18H2,1H3,(H,26,27)
InChIKeyJLBSUVVQFSLDGN-UHFFFAOYSA-N
XLogP3.52
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 ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 2-(2-benzylphenoxy)acetate?
The IUPAC name of [2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 2-(2-benzylphenoxy)acetate (CID 9329385) is [2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 2-(2-benzylphenoxy)acetate.
What is the SMILES notation for [2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 2-(2-benzylphenoxy)acetate?
The canonical SMILES for [2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 2-(2-benzylphenoxy)acetate is COc1ccccc1CNC(=O)COC(=O)COc1ccccc1Cc1ccccc1.
What is the InChIKey of [2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 2-(2-benzylphenoxy)acetate?
The InChIKey is JLBSUVVQFSLDGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25NO5/c1-29-22-13-7-6-12-21(22)16-26-24(27)17-31-25(28)18-30-23-14-8-5-11-20(23)15-19-9-3-2-4-10-19/h2-14H,15-18H2,1H3,(H,26,27).
What are the key properties of [2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 2-(2-benzylphenoxy)acetate?
[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 2-(2-benzylphenoxy)acetate has a molecular weight of 419.48 g/mol, XLogP of 3.52, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 2-(2-benzylphenoxy)acetate is sourced from PubChem (CID 9329385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).