methyl 2-[4-[2-[[(2R)-2-hydroxy-3-phenoxypropyl]amino]ethoxy]phenoxy]acetate

C20H25NO6 — CID 15034338

IUPACmethyl 2-[4-[2-[[(2R)-2-hydroxy-3-phenoxypropyl]amino]ethoxy]phenoxy]acetate
SMILESCOC(=O)COc1ccc(OCCNC[C@@H](O)COc2ccccc2)cc1
InChIInChI=1S/C20H25NO6/c1-24-20(23)15-27-19-9-7-18(8-10-19)25-12-11-21-13-16(22)14-26-17-5-3-2-4-6-17/h2-10,16,21-22H,11-15H2,1H3/t16-/m1/s1
InChIKeyXPXQYIOOPXUJDD-MRXNPFEDSA-N
MW375.42 g/mol
LogP1.65
Rot. Bonds12

About methyl 2-[4-[2-[[(2R)-2-hydroxy-3-phenoxypropyl]amino]ethoxy]phenoxy]acetate

methyl 2-[4-[2-[[(2R)-2-hydroxy-3-phenoxypropyl]amino]ethoxy]phenoxy]acetate (PubChem CID 15034338) has the molecular formula C20H25NO6 and a molecular weight of 375.42 g/mol. Its IUPAC name is methyl 2-[4-[2-[[(2R)-2-hydroxy-3-phenoxypropyl]amino]ethoxy]phenoxy]acetate.

Molecular Properties

Compound Namemethyl 2-[4-[2-[[(2R)-2-hydroxy-3-phenoxypropyl]amino]ethoxy]phenoxy]acetate
PubChem CID15034338
Molecular FormulaC20H25NO6
Molecular Weight375.42 g/mol
Exact Mass375.17
IUPAC Namemethyl 2-[4-[2-[[(2R)-2-hydroxy-3-phenoxypropyl]amino]ethoxy]phenoxy]acetate
SMILESCOC(=O)COc1ccc(OCCNC[C@@H](O)COc2ccccc2)cc1
InChIInChI=1S/C20H25NO6/c1-24-20(23)15-27-19-9-7-18(8-10-19)25-12-11-21-13-16(22)14-26-17-5-3-2-4-6-17/h2-10,16,21-22H,11-15H2,1H3/t16-/m1/s1
InChIKeyXPXQYIOOPXUJDD-MRXNPFEDSA-N
XLogP1.65
TPSA86.25 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.42
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-2-[4-[2-[(2-hydroxy-3-phenoxypropyl)amino]ethoxy]phenoxy]acetamide
CID 15174918
3-[[2-hydroxy-3-(4-hydroxyphenoxy)propyl]amino]propyl 2-phenoxyacetate
CID 67677147
2-[3-[2-[(2-hydroxy-3-phenoxypropyl)amino]ethoxy]phenoxy]-N-methylacetamide
CID 15174968
1-[4-[2-[(2-hydroxy-3-phenoxypropyl)amino]ethoxy]phenyl]pentan-2-one
CID 23169489
2-[4-[2-[[3-(2-fluorophenoxy)-2-hydroxypropyl]amino]ethoxy]phenoxy]acetic acid;hydrochloride
CID 54585701
methyl 2-[4-[2-[[(2S)-2-hydroxy-3-phenoxypropyl]amino]propyl]phenoxy]acetate
CID 67905669
2-[2-[2-[(2-hydroxy-3-phenoxypropyl)amino]ethoxy]phenoxy]acetamide
CID 70440804
1-(benzylamino)-3-phenoxypropan-2-ol;ethane;methyl 2-methoxyacetate
CID 91403066
2-[4-[2-[[(2S)-2-hydroxy-3-phenoxypropyl]amino]ethyl]phenoxy]acetic acid
CID 15714008
1-(2-methoxyethoxy)-3-(3-phenoxypropylamino)propan-2-ol
CID 106989841
methyl 5-[2-[[(2S)-2-hydroxy-3-phenoxypropyl]amino]ethoxy]-1-benzofuran-2-carboxylate
CID 67665235
1-[2-(2-methylpropoxy)ethylamino]-3-phenoxypropan-2-ol
CID 115585680

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-[2-[[(2R)-2-hydroxy-3-phenoxypropyl]amino]ethoxy]phenoxy]acetate?
The IUPAC name of methyl 2-[4-[2-[[(2R)-2-hydroxy-3-phenoxypropyl]amino]ethoxy]phenoxy]acetate (CID 15034338) is methyl 2-[4-[2-[[(2R)-2-hydroxy-3-phenoxypropyl]amino]ethoxy]phenoxy]acetate.
What is the SMILES notation for methyl 2-[4-[2-[[(2R)-2-hydroxy-3-phenoxypropyl]amino]ethoxy]phenoxy]acetate?
The canonical SMILES for methyl 2-[4-[2-[[(2R)-2-hydroxy-3-phenoxypropyl]amino]ethoxy]phenoxy]acetate is COC(=O)COc1ccc(OCCNC[C@@H](O)COc2ccccc2)cc1.
What is the InChIKey of methyl 2-[4-[2-[[(2R)-2-hydroxy-3-phenoxypropyl]amino]ethoxy]phenoxy]acetate?
The InChIKey is XPXQYIOOPXUJDD-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H25NO6/c1-24-20(23)15-27-19-9-7-18(8-10-19)25-12-11-21-13-16(22)14-26-17-5-3-2-4-6-17/h2-10,16,21-22H,11-15H2,1H3/t16-/m1/s1.
What are the key properties of methyl 2-[4-[2-[[(2R)-2-hydroxy-3-phenoxypropyl]amino]ethoxy]phenoxy]acetate?
methyl 2-[4-[2-[[(2R)-2-hydroxy-3-phenoxypropyl]amino]ethoxy]phenoxy]acetate has a molecular weight of 375.42 g/mol, XLogP of 1.65, 12 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-[2-[[(2R)-2-hydroxy-3-phenoxypropyl]amino]ethoxy]phenoxy]acetate is sourced from PubChem (CID 15034338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).