2-[benzyl(methyl)amino]ethyl 2-[4-[(4-chlorophenyl)methyl]phenoxy]acetate

C25H26ClNO3 — CID 3044340

IUPAC2-[benzyl(methyl)amino]ethyl 2-[4-[(4-chlorophenyl)methyl]phenoxy]acetate
SMILESCN(CCOC(=O)COc1ccc(Cc2ccc(Cl)cc2)cc1)Cc1ccccc1
InChIInChI=1S/C25H26ClNO3/c1-27(18-22-5-3-2-4-6-22)15-16-29-25(28)19-30-24-13-9-21(10-14-24)17-20-7-11-23(26)12-8-20/h2-14H,15-19H2,1H3
InChIKeyWFIWNYUYKRVGNP-UHFFFAOYSA-N
MW423.94 g/mol
LogP4.98
Rot. Bonds10

About 2-[benzyl(methyl)amino]ethyl 2-[4-[(4-chlorophenyl)methyl]phenoxy]acetate

2-[benzyl(methyl)amino]ethyl 2-[4-[(4-chlorophenyl)methyl]phenoxy]acetate (PubChem CID 3044340) has the molecular formula C25H26ClNO3 and a molecular weight of 423.94 g/mol. Its IUPAC name is 2-[benzyl(methyl)amino]ethyl 2-[4-[(4-chlorophenyl)methyl]phenoxy]acetate.

Molecular Properties

Compound Name2-[benzyl(methyl)amino]ethyl 2-[4-[(4-chlorophenyl)methyl]phenoxy]acetate
PubChem CID3044340
Molecular FormulaC25H26ClNO3
Molecular Weight423.94 g/mol
Exact Mass423.16
IUPAC Name2-[benzyl(methyl)amino]ethyl 2-[4-[(4-chlorophenyl)methyl]phenoxy]acetate
SMILESCN(CCOC(=O)COc1ccc(Cc2ccc(Cl)cc2)cc1)Cc1ccccc1
InChIInChI=1S/C25H26ClNO3/c1-27(18-22-5-3-2-4-6-22)15-16-29-25(28)19-30-24-13-9-21(10-14-24)17-20-7-11-23(26)12-8-20/h2-14H,15-19H2,1H3
InChIKeyWFIWNYUYKRVGNP-UHFFFAOYSA-N
XLogP4.98
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.94
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[benzyl(methyl)amino]ethyl 2-[4-[(4-chlorophenyl)methyl]phenoxy]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl(methyl)amino]ethyl 2-[4-[(4-chlorophenyl)methyl]phenoxy]acetate?
The IUPAC name of 2-[benzyl(methyl)amino]ethyl 2-[4-[(4-chlorophenyl)methyl]phenoxy]acetate (CID 3044340) is 2-[benzyl(methyl)amino]ethyl 2-[4-[(4-chlorophenyl)methyl]phenoxy]acetate.
What is the SMILES notation for 2-[benzyl(methyl)amino]ethyl 2-[4-[(4-chlorophenyl)methyl]phenoxy]acetate?
The canonical SMILES for 2-[benzyl(methyl)amino]ethyl 2-[4-[(4-chlorophenyl)methyl]phenoxy]acetate is CN(CCOC(=O)COc1ccc(Cc2ccc(Cl)cc2)cc1)Cc1ccccc1.
What is the InChIKey of 2-[benzyl(methyl)amino]ethyl 2-[4-[(4-chlorophenyl)methyl]phenoxy]acetate?
The InChIKey is WFIWNYUYKRVGNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26ClNO3/c1-27(18-22-5-3-2-4-6-22)15-16-29-25(28)19-30-24-13-9-21(10-14-24)17-20-7-11-23(26)12-8-20/h2-14H,15-19H2,1H3.
What are the key properties of 2-[benzyl(methyl)amino]ethyl 2-[4-[(4-chlorophenyl)methyl]phenoxy]acetate?
2-[benzyl(methyl)amino]ethyl 2-[4-[(4-chlorophenyl)methyl]phenoxy]acetate has a molecular weight of 423.94 g/mol, XLogP of 4.98, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl(methyl)amino]ethyl 2-[4-[(4-chlorophenyl)methyl]phenoxy]acetate is sourced from PubChem (CID 3044340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).