[2-(2-benzyl-4-phenylphenoxy)ethyl-methylamino] acetate

C24H25NO3 — CID 87969376

IUPAC[2-(2-benzyl-4-phenylphenoxy)ethyl-methylamino] acetate
SMILESCC(=O)ON(C)CCOc1ccc(-c2ccccc2)cc1Cc1ccccc1
InChIInChI=1S/C24H25NO3/c1-19(26)28-25(2)15-16-27-24-14-13-22(21-11-7-4-8-12-21)18-23(24)17-20-9-5-3-6-10-20/h3-14,18H,15-17H2,1-2H3
InChIKeyGGYQWOCKLOWOHK-UHFFFAOYSA-N
MW375.47 g/mol
LogP4.73
Rot. Bonds8

About [2-(2-benzyl-4-phenylphenoxy)ethyl-methylamino] acetate

[2-(2-benzyl-4-phenylphenoxy)ethyl-methylamino] acetate (PubChem CID 87969376) has the molecular formula C24H25NO3 and a molecular weight of 375.47 g/mol. Its IUPAC name is [2-(2-benzyl-4-phenylphenoxy)ethyl-methylamino] acetate.

Molecular Properties

Compound Name[2-(2-benzyl-4-phenylphenoxy)ethyl-methylamino] acetate
PubChem CID87969376
Molecular FormulaC24H25NO3
Molecular Weight375.47 g/mol
Exact Mass375.18
IUPAC Name[2-(2-benzyl-4-phenylphenoxy)ethyl-methylamino] acetate
SMILESCC(=O)ON(C)CCOc1ccc(-c2ccccc2)cc1Cc1ccccc1
InChIInChI=1S/C24H25NO3/c1-19(26)28-25(2)15-16-27-24-14-13-22(21-11-7-4-8-12-21)18-23(24)17-20-9-5-3-6-10-20/h3-14,18H,15-17H2,1-2H3
InChIKeyGGYQWOCKLOWOHK-UHFFFAOYSA-N
XLogP4.73
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2-(2-benzyl-4-phenylphenoxy)ethyl-methylamino] acetate?
The IUPAC name of [2-(2-benzyl-4-phenylphenoxy)ethyl-methylamino] acetate (CID 87969376) is [2-(2-benzyl-4-phenylphenoxy)ethyl-methylamino] acetate.
What is the SMILES notation for [2-(2-benzyl-4-phenylphenoxy)ethyl-methylamino] acetate?
The canonical SMILES for [2-(2-benzyl-4-phenylphenoxy)ethyl-methylamino] acetate is CC(=O)ON(C)CCOc1ccc(-c2ccccc2)cc1Cc1ccccc1.
What is the InChIKey of [2-(2-benzyl-4-phenylphenoxy)ethyl-methylamino] acetate?
The InChIKey is GGYQWOCKLOWOHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25NO3/c1-19(26)28-25(2)15-16-27-24-14-13-22(21-11-7-4-8-12-21)18-23(24)17-20-9-5-3-6-10-20/h3-14,18H,15-17H2,1-2H3.
What are the key properties of [2-(2-benzyl-4-phenylphenoxy)ethyl-methylamino] acetate?
[2-(2-benzyl-4-phenylphenoxy)ethyl-methylamino] acetate has a molecular weight of 375.47 g/mol, XLogP of 4.73, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-benzyl-4-phenylphenoxy)ethyl-methylamino] acetate is sourced from PubChem (CID 87969376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).