methyl 2-[4-[(2R)-2-[[(2R)-2-hydroxy-2-phenylethyl]amino]propyl]phenoxy]acetate

C20H25NO4 — CID 154281922

IUPACmethyl 2-[4-[(2R)-2-[[(2R)-2-hydroxy-2-phenylethyl]amino]propyl]phenoxy]acetate
SMILESCOC(=O)COc1ccc(C[C@@H](C)NC[C@H](O)c2ccccc2)cc1
InChIInChI=1S/C20H25NO4/c1-15(21-13-19(22)17-6-4-3-5-7-17)12-16-8-10-18(11-9-16)25-14-20(23)24-2/h3-11,15,19,21-22H,12-14H2,1-2H3/t15-,19+/m1/s1
InChIKeyWPTKMYNQLXJDMX-BEFAXECRSA-N
MW343.42 g/mol
LogP2.49
Rot. Bonds9

About methyl 2-[4-[(2R)-2-[[(2R)-2-hydroxy-2-phenylethyl]amino]propyl]phenoxy]acetate

methyl 2-[4-[(2R)-2-[[(2R)-2-hydroxy-2-phenylethyl]amino]propyl]phenoxy]acetate (PubChem CID 154281922) has the molecular formula C20H25NO4 and a molecular weight of 343.42 g/mol. Its IUPAC name is methyl 2-[4-[(2R)-2-[[(2R)-2-hydroxy-2-phenylethyl]amino]propyl]phenoxy]acetate.

Molecular Properties

Compound Namemethyl 2-[4-[(2R)-2-[[(2R)-2-hydroxy-2-phenylethyl]amino]propyl]phenoxy]acetate
PubChem CID154281922
Molecular FormulaC20H25NO4
Molecular Weight343.42 g/mol
Exact Mass343.18
IUPAC Namemethyl 2-[4-[(2R)-2-[[(2R)-2-hydroxy-2-phenylethyl]amino]propyl]phenoxy]acetate
SMILESCOC(=O)COc1ccc(C[C@@H](C)NC[C@H](O)c2ccccc2)cc1
InChIInChI=1S/C20H25NO4/c1-15(21-13-19(22)17-6-4-3-5-7-17)12-16-8-10-18(11-9-16)25-14-20(23)24-2/h3-11,15,19,21-22H,12-14H2,1-2H3/t15-,19+/m1/s1
InChIKeyWPTKMYNQLXJDMX-BEFAXECRSA-N
XLogP2.49
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.42
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl 2-[4-[(2R)-2-[[(2R)-2-hydroxy-2-phenylethyl]amino]propyl]phenoxy]acetate with MolForge

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Related Compounds

methyl 2-[4-[2-[[2-(3-chlorophenyl)-2-hydroxyethyl]amino]propyl]phenoxy]acetate;hydrobromide
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methyl 4-[(2S)-2-[[(2R)-2-hydroxy-2-phenylethyl]amino]propyl]benzoate
CID 22823728
methyl 2-[4-[2-[[2-hydroxy-3-(4-phenylmethoxyphenoxy)propyl]amino]propyl]phenoxy]acetate
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methyl 2-[4-[(2R)-2-[[(2R)-2-hydroxy-2-phenylethyl]amino]propoxy]phenyl]acetate
CID 22873127
(1R)-2-[[(2R)-1-[4-(1-hydroxyethoxy)phenyl]propan-2-yl]amino]-1-phenylethanol
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methyl 2-[4-[2-[[2-hydroxy-2-(1,3-thiazol-4-yl)ethyl]amino]propyl]phenoxy]acetate
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methyl 2-[4-[2-[[3-[3,4-bis(phenylmethoxy)phenoxy]-2-hydroxypropyl]amino]propyl]phenoxy]acetate
CID 86752189
methyl 3-[4-[2-[(2-hydroxy-2-phenylethyl)amino]propyl]phenyl]but-2-enoate
CID 54381309
2-[4-[2-[[2-hydroxy-2-(4-phenylmethoxyphenyl)ethyl]amino]propyl]phenoxy]butanamide
CID 67933250
methyl 2-[4-[2-[[2-hydroxy-2-(2-piperidin-1-yl-1,3-thiazol-4-yl)ethyl]amino]propyl]phenoxy]acetate
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Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-[(2R)-2-[[(2R)-2-hydroxy-2-phenylethyl]amino]propyl]phenoxy]acetate?
The IUPAC name of methyl 2-[4-[(2R)-2-[[(2R)-2-hydroxy-2-phenylethyl]amino]propyl]phenoxy]acetate (CID 154281922) is methyl 2-[4-[(2R)-2-[[(2R)-2-hydroxy-2-phenylethyl]amino]propyl]phenoxy]acetate.
What is the SMILES notation for methyl 2-[4-[(2R)-2-[[(2R)-2-hydroxy-2-phenylethyl]amino]propyl]phenoxy]acetate?
The canonical SMILES for methyl 2-[4-[(2R)-2-[[(2R)-2-hydroxy-2-phenylethyl]amino]propyl]phenoxy]acetate is COC(=O)COc1ccc(C[C@@H](C)NC[C@H](O)c2ccccc2)cc1.
What is the InChIKey of methyl 2-[4-[(2R)-2-[[(2R)-2-hydroxy-2-phenylethyl]amino]propyl]phenoxy]acetate?
The InChIKey is WPTKMYNQLXJDMX-BEFAXECRSA-N. The full InChI is InChI=1S/C20H25NO4/c1-15(21-13-19(22)17-6-4-3-5-7-17)12-16-8-10-18(11-9-16)25-14-20(23)24-2/h3-11,15,19,21-22H,12-14H2,1-2H3/t15-,19+/m1/s1.
What are the key properties of methyl 2-[4-[(2R)-2-[[(2R)-2-hydroxy-2-phenylethyl]amino]propyl]phenoxy]acetate?
methyl 2-[4-[(2R)-2-[[(2R)-2-hydroxy-2-phenylethyl]amino]propyl]phenoxy]acetate has a molecular weight of 343.42 g/mol, XLogP of 2.49, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-[(2R)-2-[[(2R)-2-hydroxy-2-phenylethyl]amino]propyl]phenoxy]acetate is sourced from PubChem (CID 154281922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).