methyl 2-[4-[(2R)-2-[[(2R)-2-hydroxy-2-phenylethyl]amino]propoxy]phenyl]acetate

C20H25NO4 — CID 22873127

IUPACmethyl 2-[4-[(2R)-2-[[(2R)-2-hydroxy-2-phenylethyl]amino]propoxy]phenyl]acetate
SMILESCOC(=O)Cc1ccc(OC[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)14-25-18-10-8-16(9-11-18)12-20(23)24-2/h3-11,15,19,21-22H,12-14H2,1-2H3/t15-,19+/m1/s1
InChIKeyWDKGHUODOJUVHL-BEFAXECRSA-N
MW343.42 g/mol
LogP2.49
Rot. Bonds9

About methyl 2-[4-[(2R)-2-[[(2R)-2-hydroxy-2-phenylethyl]amino]propoxy]phenyl]acetate

methyl 2-[4-[(2R)-2-[[(2R)-2-hydroxy-2-phenylethyl]amino]propoxy]phenyl]acetate (PubChem CID 22873127) 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]propoxy]phenyl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-[(2R)-2-[[(2R)-2-hydroxy-2-phenylethyl]amino]propoxy]phenyl]acetate
PubChem CID22873127
Molecular FormulaC20H25NO4
Molecular Weight343.42 g/mol
Exact Mass343.18
IUPAC Namemethyl 2-[4-[(2R)-2-[[(2R)-2-hydroxy-2-phenylethyl]amino]propoxy]phenyl]acetate
SMILESCOC(=O)Cc1ccc(OC[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)14-25-18-10-8-16(9-11-18)12-20(23)24-2/h3-11,15,19,21-22H,12-14H2,1-2H3/t15-,19+/m1/s1
InChIKeyWDKGHUODOJUVHL-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]propoxy]phenyl]acetate with MolForge

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Related Compounds

methyl 2-[4-[(2R)-2-[[(2R)-2-hydroxy-2-phenylethyl]amino]propyl]phenoxy]acetate
CID 154281922
methyl 2-[4-[(2S)-3-amino-4-hydroxy-2-methyl-4-phenylbutoxy]phenyl]acetate
CID 67575856
methyl 2-[4-[2-[[(2R)-2-hydroxy-2-phenylethyl]amino]ethyl]phenyl]acetate
CID 54411286
methyl 2-[4-[(2R)-2-aminopropoxy]phenyl]acetate
CID 22867083
[4-[(3R)-3-[[(2R)-2-hydroxy-2-phenylethyl]amino]butyl]phenyl] acetate;hydrochloride
CID 70590910
methyl 4-[(2S)-2-[[(2R)-2-hydroxy-2-phenylethyl]amino]propyl]benzoate
CID 22823728
methyl 2-[4-[2-[[(2S)-2-hydroxy-3-phenoxypropyl]amino]propyl]phenoxy]acetate
CID 67905669
methyl 2-(4-phenylmethoxyphenyl)acetate
CID 2756645
(1R)-2-[[(2R)-1-[4-(1-hydroxyethoxy)phenyl]propan-2-yl]amino]-1-phenylethanol
CID 154335865
N-[(2R)-2-[[(2R)-2-hydroxy-2-phenylethyl]amino]propyl]-2-phenylacetamide;oxalic acid
CID 70628020
2-(4-chlorophenyl)-N-[2-[(2-hydroxy-2-phenylethyl)amino]propyl]acetamide
CID 54203052
methyl 2-[4-[(3R,4S)-4-amino-4-hydroxy-2,3-dimethyl-4-phenylbutoxy]phenyl]acetate
CID 151884472

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-[(2R)-2-[[(2R)-2-hydroxy-2-phenylethyl]amino]propoxy]phenyl]acetate?
The IUPAC name of methyl 2-[4-[(2R)-2-[[(2R)-2-hydroxy-2-phenylethyl]amino]propoxy]phenyl]acetate (CID 22873127) is methyl 2-[4-[(2R)-2-[[(2R)-2-hydroxy-2-phenylethyl]amino]propoxy]phenyl]acetate.
What is the SMILES notation for methyl 2-[4-[(2R)-2-[[(2R)-2-hydroxy-2-phenylethyl]amino]propoxy]phenyl]acetate?
The canonical SMILES for methyl 2-[4-[(2R)-2-[[(2R)-2-hydroxy-2-phenylethyl]amino]propoxy]phenyl]acetate is COC(=O)Cc1ccc(OC[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]propoxy]phenyl]acetate?
The InChIKey is WDKGHUODOJUVHL-BEFAXECRSA-N. The full InChI is InChI=1S/C20H25NO4/c1-15(21-13-19(22)17-6-4-3-5-7-17)14-25-18-10-8-16(9-11-18)12-20(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]propoxy]phenyl]acetate?
methyl 2-[4-[(2R)-2-[[(2R)-2-hydroxy-2-phenylethyl]amino]propoxy]phenyl]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]propoxy]phenyl]acetate is sourced from PubChem (CID 22873127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).