methyl 2-[3-[[2-(2-methoxyethylamino)acetyl]amino]phenoxy]acetate

C14H20N2O5 — CID 119713774

IUPACmethyl 2-[3-[[2-(2-methoxyethylamino)acetyl]amino]phenoxy]acetate
SMILESCOCCNCC(=O)Nc1cccc(OCC(=O)OC)c1
InChIInChI=1S/C14H20N2O5/c1-19-7-6-15-9-13(17)16-11-4-3-5-12(8-11)21-10-14(18)20-2/h3-5,8,15H,6-7,9-10H2,1-2H3,(H,16,17)
InChIKeyBSFBEFUVRGQDEJ-UHFFFAOYSA-N
MW296.32 g/mol
LogP0.41
Rot. Bonds9

About methyl 2-[3-[[2-(2-methoxyethylamino)acetyl]amino]phenoxy]acetate

methyl 2-[3-[[2-(2-methoxyethylamino)acetyl]amino]phenoxy]acetate (PubChem CID 119713774) has the molecular formula C14H20N2O5 and a molecular weight of 296.32 g/mol. Its IUPAC name is methyl 2-[3-[[2-(2-methoxyethylamino)acetyl]amino]phenoxy]acetate.

Molecular Properties

Compound Namemethyl 2-[3-[[2-(2-methoxyethylamino)acetyl]amino]phenoxy]acetate
PubChem CID119713774
Molecular FormulaC14H20N2O5
Molecular Weight296.32 g/mol
Exact Mass296.14
IUPAC Namemethyl 2-[3-[[2-(2-methoxyethylamino)acetyl]amino]phenoxy]acetate
SMILESCOCCNCC(=O)Nc1cccc(OCC(=O)OC)c1
InChIInChI=1S/C14H20N2O5/c1-19-7-6-15-9-13(17)16-11-4-3-5-12(8-11)21-10-14(18)20-2/h3-5,8,15H,6-7,9-10H2,1-2H3,(H,16,17)
InChIKeyBSFBEFUVRGQDEJ-UHFFFAOYSA-N
XLogP0.41
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.32
LogP ≤ 50.41
H-Bond Donors ≤ 52
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-[[2-(2-methoxyethylamino)acetyl]amino]phenoxy]acetic acid
CID 79282011
N-[3-(2-methoxyethoxy)phenyl]-2-(2-methoxyethylamino)acetamide
CID 54819707
2-(2-methoxyethylamino)-N-[3-(2-phenoxyethoxy)phenyl]acetamide
CID 54819962
N-[3-(cyanomethoxy)phenyl]-2-(2-methoxyethylamino)acetamide
CID 79281343
N-(3-acetamidophenyl)-2-(2-methoxyethylamino)acetamide
CID 54819836
N-(3-chlorophenyl)-2-(2-methoxyethylamino)acetamide
CID 28565603
methyl 2-[3-(but-3-ynoylamino)phenoxy]acetate
CID 114028677
methyl 2-[3-[(2-phenylacetyl)amino]phenoxy]acetate
CID 891990
methyl 2-[3-[4-(methylamino)butanoylamino]phenoxy]acetate
CID 119713738
methyl 2-[3-[[2-(4-fluorophenoxy)acetyl]amino]phenoxy]acetate
CID 17341883
2-(cyclopropylmethylamino)-N-[3-(2-methoxyethoxy)phenyl]acetamide;hydrochloride
CID 119723471
2-[3-(2-methoxyethylcarbamoylamino)phenoxy]acetic acid
CID 61186992

Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-[[2-(2-methoxyethylamino)acetyl]amino]phenoxy]acetate?
The IUPAC name of methyl 2-[3-[[2-(2-methoxyethylamino)acetyl]amino]phenoxy]acetate (CID 119713774) is methyl 2-[3-[[2-(2-methoxyethylamino)acetyl]amino]phenoxy]acetate.
What is the SMILES notation for methyl 2-[3-[[2-(2-methoxyethylamino)acetyl]amino]phenoxy]acetate?
The canonical SMILES for methyl 2-[3-[[2-(2-methoxyethylamino)acetyl]amino]phenoxy]acetate is COCCNCC(=O)Nc1cccc(OCC(=O)OC)c1.
What is the InChIKey of methyl 2-[3-[[2-(2-methoxyethylamino)acetyl]amino]phenoxy]acetate?
The InChIKey is BSFBEFUVRGQDEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O5/c1-19-7-6-15-9-13(17)16-11-4-3-5-12(8-11)21-10-14(18)20-2/h3-5,8,15H,6-7,9-10H2,1-2H3,(H,16,17).
What are the key properties of methyl 2-[3-[[2-(2-methoxyethylamino)acetyl]amino]phenoxy]acetate?
methyl 2-[3-[[2-(2-methoxyethylamino)acetyl]amino]phenoxy]acetate has a molecular weight of 296.32 g/mol, XLogP of 0.41, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-[[2-(2-methoxyethylamino)acetyl]amino]phenoxy]acetate is sourced from PubChem (CID 119713774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).