methyl 2-[[2-(4-aminophenoxy)acetyl]-ethylamino]acetate

C13H18N2O4 — CID 54998119

IUPACmethyl 2-[[2-(4-aminophenoxy)acetyl]-ethylamino]acetate
SMILESCCN(CC(=O)OC)C(=O)COc1ccc(N)cc1
InChIInChI=1S/C13H18N2O4/c1-3-15(8-13(17)18-2)12(16)9-19-11-6-4-10(14)5-7-11/h4-7H,3,8-9,14H2,1-2H3
InChIKeyFMPYKWHWAYXJPM-UHFFFAOYSA-N
MW266.30 g/mol
LogP0.67
Rot. Bonds6

About methyl 2-[[2-(4-aminophenoxy)acetyl]-ethylamino]acetate

methyl 2-[[2-(4-aminophenoxy)acetyl]-ethylamino]acetate (PubChem CID 54998119) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is methyl 2-[[2-(4-aminophenoxy)acetyl]-ethylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[[2-(4-aminophenoxy)acetyl]-ethylamino]acetate
PubChem CID54998119
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC Namemethyl 2-[[2-(4-aminophenoxy)acetyl]-ethylamino]acetate
SMILESCCN(CC(=O)OC)C(=O)COc1ccc(N)cc1
InChIInChI=1S/C13H18N2O4/c1-3-15(8-13(17)18-2)12(16)9-19-11-6-4-10(14)5-7-11/h4-7H,3,8-9,14H2,1-2H3
InChIKeyFMPYKWHWAYXJPM-UHFFFAOYSA-N
XLogP0.67
TPSA81.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(4-aminophenoxy)-N-ethyl-N-propylacetamide
CID 61094181
2-(4-aminophenoxy)-N-(2-ethoxyethyl)-N-ethylacetamide
CID 63696448
2-(4-aminophenoxy)-N-ethyl-N-(2-ethylbutyl)acetamide
CID 61092927
methyl 2-[ethyl-[2-(3-fluorophenoxy)acetyl]amino]acetate
CID 54979676
2-[ethyl-[2-(4-methoxyphenoxy)acetyl]amino]acetic acid
CID 54900881
methyl 2-[[2-(4-ethoxyphenyl)sulfanylacetyl]-ethylamino]acetate
CID 61383260
methyl 3-[ethyl-[2-(4-fluorophenoxy)acetyl]amino]propanoate
CID 61011300
methyl 2-[ethyl-[2-(2-fluorophenoxy)acetyl]amino]acetate
CID 54979366
4-amino-N-[(Z)-1-[4-[2-(diethylamino)-2-oxoethoxy]phenyl]ethylideneamino]benzamide
CID 7955371
methyl 2-[[2-(2,5-dimethylphenoxy)acetyl]-ethylamino]acetate
CID 61383302
ethyl 2-[[2-(3,4-dichlorophenoxy)acetyl]-ethylamino]acetate
CID 61022121
N,N-diethyl-2-[4-(methylamino)phenoxy]acetamide
CID 54908693

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-(4-aminophenoxy)acetyl]-ethylamino]acetate?
The IUPAC name of methyl 2-[[2-(4-aminophenoxy)acetyl]-ethylamino]acetate (CID 54998119) is methyl 2-[[2-(4-aminophenoxy)acetyl]-ethylamino]acetate.
What is the SMILES notation for methyl 2-[[2-(4-aminophenoxy)acetyl]-ethylamino]acetate?
The canonical SMILES for methyl 2-[[2-(4-aminophenoxy)acetyl]-ethylamino]acetate is CCN(CC(=O)OC)C(=O)COc1ccc(N)cc1.
What is the InChIKey of methyl 2-[[2-(4-aminophenoxy)acetyl]-ethylamino]acetate?
The InChIKey is FMPYKWHWAYXJPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4/c1-3-15(8-13(17)18-2)12(16)9-19-11-6-4-10(14)5-7-11/h4-7H,3,8-9,14H2,1-2H3.
What are the key properties of methyl 2-[[2-(4-aminophenoxy)acetyl]-ethylamino]acetate?
methyl 2-[[2-(4-aminophenoxy)acetyl]-ethylamino]acetate has a molecular weight of 266.30 g/mol, XLogP of 0.67, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-(4-aminophenoxy)acetyl]-ethylamino]acetate is sourced from PubChem (CID 54998119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).