2-(4-methoxyphenoxy)ethyl 2-[(4-phenoxybenzoyl)amino]acetate

C24H23NO6 — CID 7833306

IUPAC2-(4-methoxyphenoxy)ethyl 2-[(4-phenoxybenzoyl)amino]acetate
SMILESCOc1ccc(OCCOC(=O)CNC(=O)c2ccc(Oc3ccccc3)cc2)cc1
InChIInChI=1S/C24H23NO6/c1-28-19-11-13-20(14-12-19)29-15-16-30-23(26)17-25-24(27)18-7-9-22(10-8-18)31-21-5-3-2-4-6-21/h2-14H,15-17H2,1H3,(H,25,27)
InChIKeyWBGAELQAMVAZCF-UHFFFAOYSA-N
MW421.45 g/mol
LogP3.84
Rot. Bonds10

About 2-(4-methoxyphenoxy)ethyl 2-[(4-phenoxybenzoyl)amino]acetate

2-(4-methoxyphenoxy)ethyl 2-[(4-phenoxybenzoyl)amino]acetate (PubChem CID 7833306) has the molecular formula C24H23NO6 and a molecular weight of 421.45 g/mol. Its IUPAC name is 2-(4-methoxyphenoxy)ethyl 2-[(4-phenoxybenzoyl)amino]acetate.

Molecular Properties

Compound Name2-(4-methoxyphenoxy)ethyl 2-[(4-phenoxybenzoyl)amino]acetate
PubChem CID7833306
Molecular FormulaC24H23NO6
Molecular Weight421.45 g/mol
Exact Mass421.15
IUPAC Name2-(4-methoxyphenoxy)ethyl 2-[(4-phenoxybenzoyl)amino]acetate
SMILESCOc1ccc(OCCOC(=O)CNC(=O)c2ccc(Oc3ccccc3)cc2)cc1
InChIInChI=1S/C24H23NO6/c1-28-19-11-13-20(14-12-19)29-15-16-30-23(26)17-25-24(27)18-7-9-22(10-8-18)31-21-5-3-2-4-6-21/h2-14H,15-17H2,1H3,(H,25,27)
InChIKeyWBGAELQAMVAZCF-UHFFFAOYSA-N
XLogP3.84
TPSA83.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.45
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-phenoxyethyl 2-[(4-phenoxybenzoyl)amino]acetate
CID 7833308
2-(4-fluorophenoxy)ethyl 2-[(4-methoxybenzoyl)amino]acetate
CID 8787743
2-(2-fluorophenoxy)ethyl 2-[(4-methoxybenzoyl)amino]acetate
CID 8788015
4-methoxy-N-(2-phenoxyethoxy)benzamide
CID 110294662
3-phenoxypropyl 2-[(4-tert-butylbenzoyl)amino]acetate
CID 55568498
2-(4-methoxyphenyl)ethyl 2-[(4-methylbenzoyl)amino]acetate
CID 42008768
(4-methoxyphenyl) 2-benzamidoacetate
CID 23275662
[2-(benzylamino)-2-oxoethyl] 2-[(4-phenoxybenzoyl)amino]acetate
CID 7833383
2-(4-chlorophenoxy)ethyl 2-[(4-ethoxybenzoyl)amino]acetate
CID 7884594
2-(4-chlorophenoxy)ethyl 2-(naphthalene-2-carbonylamino)acetate
CID 7881097
[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 2-benzamidoacetate
CID 2625536
[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 2-[(4-phenoxybenzoyl)amino]acetate
CID 8790244

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenoxy)ethyl 2-[(4-phenoxybenzoyl)amino]acetate?
The IUPAC name of 2-(4-methoxyphenoxy)ethyl 2-[(4-phenoxybenzoyl)amino]acetate (CID 7833306) is 2-(4-methoxyphenoxy)ethyl 2-[(4-phenoxybenzoyl)amino]acetate.
What is the SMILES notation for 2-(4-methoxyphenoxy)ethyl 2-[(4-phenoxybenzoyl)amino]acetate?
The canonical SMILES for 2-(4-methoxyphenoxy)ethyl 2-[(4-phenoxybenzoyl)amino]acetate is COc1ccc(OCCOC(=O)CNC(=O)c2ccc(Oc3ccccc3)cc2)cc1.
What is the InChIKey of 2-(4-methoxyphenoxy)ethyl 2-[(4-phenoxybenzoyl)amino]acetate?
The InChIKey is WBGAELQAMVAZCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23NO6/c1-28-19-11-13-20(14-12-19)29-15-16-30-23(26)17-25-24(27)18-7-9-22(10-8-18)31-21-5-3-2-4-6-21/h2-14H,15-17H2,1H3,(H,25,27).
What are the key properties of 2-(4-methoxyphenoxy)ethyl 2-[(4-phenoxybenzoyl)amino]acetate?
2-(4-methoxyphenoxy)ethyl 2-[(4-phenoxybenzoyl)amino]acetate has a molecular weight of 421.45 g/mol, XLogP of 3.84, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenoxy)ethyl 2-[(4-phenoxybenzoyl)amino]acetate is sourced from PubChem (CID 7833306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).