[2-(2-methoxyethylamino)-2-oxoethyl] 2-(4-aminophenoxy)acetate

C13H18N2O5 — CID 61485546

IUPAC[2-(2-methoxyethylamino)-2-oxoethyl] 2-(4-aminophenoxy)acetate
SMILESCOCCNC(=O)COC(=O)COc1ccc(N)cc1
InChIInChI=1S/C13H18N2O5/c1-18-7-6-15-12(16)8-20-13(17)9-19-11-4-2-10(14)3-5-11/h2-5H,6-9,14H2,1H3,(H,15,16)
InChIKeyMJRDQVYQPZLRIS-UHFFFAOYSA-N
MW282.30 g/mol
LogP-0.05
Rot. Bonds8

About [2-(2-methoxyethylamino)-2-oxoethyl] 2-(4-aminophenoxy)acetate

[2-(2-methoxyethylamino)-2-oxoethyl] 2-(4-aminophenoxy)acetate (PubChem CID 61485546) has the molecular formula C13H18N2O5 and a molecular weight of 282.30 g/mol. Its IUPAC name is [2-(2-methoxyethylamino)-2-oxoethyl] 2-(4-aminophenoxy)acetate.

Molecular Properties

Compound Name[2-(2-methoxyethylamino)-2-oxoethyl] 2-(4-aminophenoxy)acetate
PubChem CID61485546
Molecular FormulaC13H18N2O5
Molecular Weight282.30 g/mol
Exact Mass282.12
IUPAC Name[2-(2-methoxyethylamino)-2-oxoethyl] 2-(4-aminophenoxy)acetate
SMILESCOCCNC(=O)COC(=O)COc1ccc(N)cc1
InChIInChI=1S/C13H18N2O5/c1-18-7-6-15-12(16)8-20-13(17)9-19-11-4-2-10(14)3-5-11/h2-5H,6-9,14H2,1H3,(H,15,16)
InChIKeyMJRDQVYQPZLRIS-UHFFFAOYSA-N
XLogP-0.05
TPSA99.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 5-0.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

[2-(2-methoxyethylamino)-2-oxoethyl] 2-(4-fluorophenoxy)acetate
CID 7791412
[2-[2-(4-ethoxyphenoxy)ethylamino]-2-oxoethyl] 2-(4-methoxyphenoxy)acetate
CID 27913717
2-(4-hydroxyphenoxy)-N-(2-methoxyethyl)acetamide
CID 61485470
2-(4-aminophenoxy)-N-[2-(2-methylprop-2-enoxy)ethyl]acetamide
CID 114464873
[3-(ethylamino)-3-oxopropyl] 2-(4-aminophenoxy)acetate
CID 62326119
N-[2-(4-aminophenoxy)ethyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112601847
2-[4-[(1S)-1-aminopropyl]phenoxy]-N-(2-methoxyethyl)acetamide
CID 78937320
4-amino-2-[2-(2-methoxyethylamino)-2-oxoethoxy]benzoic acid
CID 106954846
2-[4-[(1S)-1-hydroxypropyl]phenoxy]-N-(2-methoxyethyl)acetamide
CID 78932114
[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] 2-(4-methoxyphenoxy)acetate
CID 7846555
[2-(2-methoxyethylamino)-2-oxoethyl] 2-[(4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]acetate
CID 7983098
[2-(2-methoxyethylamino)-2-oxoethyl] 2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetate
CID 7398980

Frequently Asked Questions

What is the IUPAC name of [2-(2-methoxyethylamino)-2-oxoethyl] 2-(4-aminophenoxy)acetate?
The IUPAC name of [2-(2-methoxyethylamino)-2-oxoethyl] 2-(4-aminophenoxy)acetate (CID 61485546) is [2-(2-methoxyethylamino)-2-oxoethyl] 2-(4-aminophenoxy)acetate.
What is the SMILES notation for [2-(2-methoxyethylamino)-2-oxoethyl] 2-(4-aminophenoxy)acetate?
The canonical SMILES for [2-(2-methoxyethylamino)-2-oxoethyl] 2-(4-aminophenoxy)acetate is COCCNC(=O)COC(=O)COc1ccc(N)cc1.
What is the InChIKey of [2-(2-methoxyethylamino)-2-oxoethyl] 2-(4-aminophenoxy)acetate?
The InChIKey is MJRDQVYQPZLRIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O5/c1-18-7-6-15-12(16)8-20-13(17)9-19-11-4-2-10(14)3-5-11/h2-5H,6-9,14H2,1H3,(H,15,16).
What are the key properties of [2-(2-methoxyethylamino)-2-oxoethyl] 2-(4-aminophenoxy)acetate?
[2-(2-methoxyethylamino)-2-oxoethyl] 2-(4-aminophenoxy)acetate has a molecular weight of 282.30 g/mol, XLogP of -0.05, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methoxyethylamino)-2-oxoethyl] 2-(4-aminophenoxy)acetate is sourced from PubChem (CID 61485546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).