[(2R,3R)-3-hydroxy-3-(2-methoxyphenyl)-2-[[(1S)-1-phenylethyl]amino]propyl] acetate

C20H25NO4 — CID 10688744

IUPAC[(2R,3R)-3-hydroxy-3-(2-methoxyphenyl)-2-[[(1S)-1-phenylethyl]amino]propyl] acetate
SMILESCOc1ccccc1[C@@H](O)[C@@H](COC(C)=O)N[C@@H](C)c1ccccc1
InChIInChI=1S/C20H25NO4/c1-14(16-9-5-4-6-10-16)21-18(13-25-15(2)22)20(23)17-11-7-8-12-19(17)24-3/h4-12,14,18,20-21,23H,13H2,1-3H3/t14-,18+,20+/m0/s1
InChIKeyOQYGXUPJWMHASG-BOUXLOLZSA-N
MW343.42 g/mol
LogP3.01
Rot. Bonds8

About [(2R,3R)-3-hydroxy-3-(2-methoxyphenyl)-2-[[(1S)-1-phenylethyl]amino]propyl] acetate

[(2R,3R)-3-hydroxy-3-(2-methoxyphenyl)-2-[[(1S)-1-phenylethyl]amino]propyl] acetate (PubChem CID 10688744) has the molecular formula C20H25NO4 and a molecular weight of 343.42 g/mol. Its IUPAC name is [(2R,3R)-3-hydroxy-3-(2-methoxyphenyl)-2-[[(1S)-1-phenylethyl]amino]propyl] acetate.

Molecular Properties

Compound Name[(2R,3R)-3-hydroxy-3-(2-methoxyphenyl)-2-[[(1S)-1-phenylethyl]amino]propyl] acetate
PubChem CID10688744
Molecular FormulaC20H25NO4
Molecular Weight343.42 g/mol
Exact Mass343.18
IUPAC Name[(2R,3R)-3-hydroxy-3-(2-methoxyphenyl)-2-[[(1S)-1-phenylethyl]amino]propyl] acetate
SMILESCOc1ccccc1[C@@H](O)[C@@H](COC(C)=O)N[C@@H](C)c1ccccc1
InChIInChI=1S/C20H25NO4/c1-14(16-9-5-4-6-10-16)21-18(13-25-15(2)22)20(23)17-11-7-8-12-19(17)24-3/h4-12,14,18,20-21,23H,13H2,1-3H3/t14-,18+,20+/m0/s1
InChIKeyOQYGXUPJWMHASG-BOUXLOLZSA-N
XLogP3.01
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.42
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [(2R,3R)-3-hydroxy-3-(2-methoxyphenyl)-2-[[(1S)-1-phenylethyl]amino]propyl] acetate with MolForge

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Related Compounds

(1R)-N-[(1R)-1-(2-methoxyphenyl)ethyl]-1-phenylethanamine
CID 13234523
(2-acetamido-3-hydroxy-3-phenylpropyl) acetate
CID 117066355
(1R)-1-(2-methoxyphenyl)-N-[(1S)-1-phenylethyl]but-3-en-1-amine
CID 10802793
methyl (2S,3R)-2-hydroxy-5-methyl-3-[[(1R)-1-phenylethyl]amino]hexanoate
CID 12019148
methyl (2S,3R)-2-amino-3-hydroxy-3-(2-methoxyphenyl)propanoate
CID 11780290
[acetyloxy-[2-[(1R)-1-[[(1R)-1-phenylethyl]amino]ethyl]phenoxy]boranyl] acetate
CID 100988154
[(2R)-2-[[(1S)-1-phenylethyl]amino]-3-phenylmethoxypropyl] acetate
CID 11110232
[(2S)-2-phenylpropyl] acetate
CID 10261650
methyl 2-[hydroxy-(2-methoxyphenyl)methyl]-3-methylbutanoate
CID 62393869
3-amino-N-[1-(2-methoxyphenyl)ethyl]-3-phenylpropanamide
CID 119948894
(2S)-2-(methoxymethoxy)-2-(2-methoxyphenyl)-N-[(1S)-1-phenylethyl]acetamide
CID 102309659
1-[2-methoxy-6-(1-phenylethyl)phenyl]ethanone
CID 102035801

Frequently Asked Questions

What is the IUPAC name of [(2R,3R)-3-hydroxy-3-(2-methoxyphenyl)-2-[[(1S)-1-phenylethyl]amino]propyl] acetate?
The IUPAC name of [(2R,3R)-3-hydroxy-3-(2-methoxyphenyl)-2-[[(1S)-1-phenylethyl]amino]propyl] acetate (CID 10688744) is [(2R,3R)-3-hydroxy-3-(2-methoxyphenyl)-2-[[(1S)-1-phenylethyl]amino]propyl] acetate.
What is the SMILES notation for [(2R,3R)-3-hydroxy-3-(2-methoxyphenyl)-2-[[(1S)-1-phenylethyl]amino]propyl] acetate?
The canonical SMILES for [(2R,3R)-3-hydroxy-3-(2-methoxyphenyl)-2-[[(1S)-1-phenylethyl]amino]propyl] acetate is COc1ccccc1[C@@H](O)[C@@H](COC(C)=O)N[C@@H](C)c1ccccc1.
What is the InChIKey of [(2R,3R)-3-hydroxy-3-(2-methoxyphenyl)-2-[[(1S)-1-phenylethyl]amino]propyl] acetate?
The InChIKey is OQYGXUPJWMHASG-BOUXLOLZSA-N. The full InChI is InChI=1S/C20H25NO4/c1-14(16-9-5-4-6-10-16)21-18(13-25-15(2)22)20(23)17-11-7-8-12-19(17)24-3/h4-12,14,18,20-21,23H,13H2,1-3H3/t14-,18+,20+/m0/s1.
What are the key properties of [(2R,3R)-3-hydroxy-3-(2-methoxyphenyl)-2-[[(1S)-1-phenylethyl]amino]propyl] acetate?
[(2R,3R)-3-hydroxy-3-(2-methoxyphenyl)-2-[[(1S)-1-phenylethyl]amino]propyl] acetate has a molecular weight of 343.42 g/mol, XLogP of 3.01, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R)-3-hydroxy-3-(2-methoxyphenyl)-2-[[(1S)-1-phenylethyl]amino]propyl] acetate is sourced from PubChem (CID 10688744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).