2-(4-propoxyphenoxy)ethyl 2-[(2-phenoxyacetyl)amino]acetate

C21H25NO6 — CID 40778027

IUPAC2-(4-propoxyphenoxy)ethyl 2-[(2-phenoxyacetyl)amino]acetate
SMILESCCCOc1ccc(OCCOC(=O)CNC(=O)COc2ccccc2)cc1
InChIInChI=1S/C21H25NO6/c1-2-12-25-18-8-10-19(11-9-18)26-13-14-27-21(24)15-22-20(23)16-28-17-6-4-3-5-7-17/h3-11H,2,12-16H2,1H3,(H,22,23)
InChIKeyXSFLTWLEPLOEMQ-UHFFFAOYSA-N
MW387.43 g/mol
LogP2.59
Rot. Bonds12

About 2-(4-propoxyphenoxy)ethyl 2-[(2-phenoxyacetyl)amino]acetate

2-(4-propoxyphenoxy)ethyl 2-[(2-phenoxyacetyl)amino]acetate (PubChem CID 40778027) has the molecular formula C21H25NO6 and a molecular weight of 387.43 g/mol. Its IUPAC name is 2-(4-propoxyphenoxy)ethyl 2-[(2-phenoxyacetyl)amino]acetate.

Molecular Properties

Compound Name2-(4-propoxyphenoxy)ethyl 2-[(2-phenoxyacetyl)amino]acetate
PubChem CID40778027
Molecular FormulaC21H25NO6
Molecular Weight387.43 g/mol
Exact Mass387.17
IUPAC Name2-(4-propoxyphenoxy)ethyl 2-[(2-phenoxyacetyl)amino]acetate
SMILESCCCOc1ccc(OCCOC(=O)CNC(=O)COc2ccccc2)cc1
InChIInChI=1S/C21H25NO6/c1-2-12-25-18-8-10-19(11-9-18)26-13-14-27-21(24)15-22-20(23)16-28-17-6-4-3-5-7-17/h3-11H,2,12-16H2,1H3,(H,22,23)
InChIKeyXSFLTWLEPLOEMQ-UHFFFAOYSA-N
XLogP2.59
TPSA83.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.43
LogP ≤ 52.59
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-(3-ethylphenoxy)ethyl 2-[(2-phenoxyacetyl)amino]acetate
CID 55303914
N-ethyl-2-[[2-(4-propoxyphenoxy)acetyl]amino]acetamide
CID 86907761
ethyl 2-[[2-(4-aminophenoxy)acetyl]amino]acetate
CID 61102333
[2-oxo-2-(2-phenylethylamino)ethyl] 2-[(2-phenoxyacetyl)amino]acetate
CID 55303919
N-butyl-2-(4-propoxyphenoxy)acetamide
CID 112775304
butane;3-oxo-3-(2-phenoxyethoxy)propanoic acid
CID 70425950
butyl N-[2-[(2-phenoxyacetyl)amino]ethyl]carbamate
CID 108573944
4-[[[2-(4-propoxyphenoxy)acetyl]amino]methyl]benzoic acid
CID 45426481
N-(hydroxymethyl)-2-phenoxyacetamide
CID 12769641
2-phenoxyethyl 2-[(4-phenoxybenzoyl)amino]acetate
CID 7833308
N-(2-amino-2-sulfanylideneethyl)-2-phenoxyacetamide
CID 61126897
2-(4-propoxyphenoxy)-N-(pyridin-2-ylmethyl)acetamide
CID 35750358

Frequently Asked Questions

What is the IUPAC name of 2-(4-propoxyphenoxy)ethyl 2-[(2-phenoxyacetyl)amino]acetate?
The IUPAC name of 2-(4-propoxyphenoxy)ethyl 2-[(2-phenoxyacetyl)amino]acetate (CID 40778027) is 2-(4-propoxyphenoxy)ethyl 2-[(2-phenoxyacetyl)amino]acetate.
What is the SMILES notation for 2-(4-propoxyphenoxy)ethyl 2-[(2-phenoxyacetyl)amino]acetate?
The canonical SMILES for 2-(4-propoxyphenoxy)ethyl 2-[(2-phenoxyacetyl)amino]acetate is CCCOc1ccc(OCCOC(=O)CNC(=O)COc2ccccc2)cc1.
What is the InChIKey of 2-(4-propoxyphenoxy)ethyl 2-[(2-phenoxyacetyl)amino]acetate?
The InChIKey is XSFLTWLEPLOEMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO6/c1-2-12-25-18-8-10-19(11-9-18)26-13-14-27-21(24)15-22-20(23)16-28-17-6-4-3-5-7-17/h3-11H,2,12-16H2,1H3,(H,22,23).
What are the key properties of 2-(4-propoxyphenoxy)ethyl 2-[(2-phenoxyacetyl)amino]acetate?
2-(4-propoxyphenoxy)ethyl 2-[(2-phenoxyacetyl)amino]acetate has a molecular weight of 387.43 g/mol, XLogP of 2.59, 12 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-propoxyphenoxy)ethyl 2-[(2-phenoxyacetyl)amino]acetate is sourced from PubChem (CID 40778027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).