methyl 2-[4-[bis(2-hydroxyethyl)amino]phenoxy]acetate

C13H19NO5 — CID 22096865

IUPACmethyl 2-[4-[bis(2-hydroxyethyl)amino]phenoxy]acetate
SMILESCOC(=O)COc1ccc(N(CCO)CCO)cc1
InChIInChI=1S/C13H19NO5/c1-18-13(17)10-19-12-4-2-11(3-5-12)14(6-8-15)7-9-16/h2-5,15-16H,6-10H2,1H3
InChIKeyLPPPNOLDBDWFHO-UHFFFAOYSA-N
MW269.30 g/mol
LogP0.03
Rot. Bonds8

About methyl 2-[4-[bis(2-hydroxyethyl)amino]phenoxy]acetate

methyl 2-[4-[bis(2-hydroxyethyl)amino]phenoxy]acetate (PubChem CID 22096865) has the molecular formula C13H19NO5 and a molecular weight of 269.30 g/mol. Its IUPAC name is methyl 2-[4-[bis(2-hydroxyethyl)amino]phenoxy]acetate.

Molecular Properties

Compound Namemethyl 2-[4-[bis(2-hydroxyethyl)amino]phenoxy]acetate
PubChem CID22096865
Molecular FormulaC13H19NO5
Molecular Weight269.30 g/mol
Exact Mass269.13
IUPAC Namemethyl 2-[4-[bis(2-hydroxyethyl)amino]phenoxy]acetate
SMILESCOC(=O)COc1ccc(N(CCO)CCO)cc1
InChIInChI=1S/C13H19NO5/c1-18-13(17)10-19-12-4-2-11(3-5-12)14(6-8-15)7-9-16/h2-5,15-16H,6-10H2,1H3
InChIKeyLPPPNOLDBDWFHO-UHFFFAOYSA-N
XLogP0.03
TPSA79.23 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

carbamic acid;2-[N-(2-hydroxyethyl)-4-methoxyanilino]ethanol
CID 71435780
methyl 2-[4-(iodomethyl)phenoxy]acetate
CID 89385998
methyl 4-[bis(2-hydroxyethyl)amino]benzoate
CID 14650314
methyl 2-(4-fluorophenoxy)acetate
CID 580550
methyl 2-(4-sulfanylphenoxy)acetate
CID 20770833
methyl 2-[4-[3-(dimethylamino)propyl]phenoxy]acetate
CID 20820636
methyl 2-[4-(3-hydroxypropylsulfamoyl)phenoxy]acetate
CID 126134738
methyl 3-[4-[bis(3-methoxy-3-oxopropyl)amino]-N-(3-methoxy-3-oxopropyl)anilino]propanoate
CID 101485319
methyl 2-[4-(4-methylphenyl)phenoxy]acetate
CID 2791912
methyl 2-[4-[1,1-bis[4-(2-methoxy-2-oxoethoxy)phenyl]ethyl]phenoxy]acetate
CID 11519263
methyl 2-pyridin-4-yloxyacetate
CID 90026078
methyl 2-[4-(1-hydroxyethyl)phenoxy]acetate
CID 43503745

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-[bis(2-hydroxyethyl)amino]phenoxy]acetate?
The IUPAC name of methyl 2-[4-[bis(2-hydroxyethyl)amino]phenoxy]acetate (CID 22096865) is methyl 2-[4-[bis(2-hydroxyethyl)amino]phenoxy]acetate.
What is the SMILES notation for methyl 2-[4-[bis(2-hydroxyethyl)amino]phenoxy]acetate?
The canonical SMILES for methyl 2-[4-[bis(2-hydroxyethyl)amino]phenoxy]acetate is COC(=O)COc1ccc(N(CCO)CCO)cc1.
What is the InChIKey of methyl 2-[4-[bis(2-hydroxyethyl)amino]phenoxy]acetate?
The InChIKey is LPPPNOLDBDWFHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO5/c1-18-13(17)10-19-12-4-2-11(3-5-12)14(6-8-15)7-9-16/h2-5,15-16H,6-10H2,1H3.
What are the key properties of methyl 2-[4-[bis(2-hydroxyethyl)amino]phenoxy]acetate?
methyl 2-[4-[bis(2-hydroxyethyl)amino]phenoxy]acetate has a molecular weight of 269.30 g/mol, XLogP of 0.03, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-[bis(2-hydroxyethyl)amino]phenoxy]acetate is sourced from PubChem (CID 22096865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).