methyl 2-hydroxy-2-[3-[phenyl-[[(1R)-1-phenylethyl]amino]methyl]phenyl]acetate

C24H25NO3 — CID 139837903

IUPACmethyl 2-hydroxy-2-[3-[phenyl-[[(1R)-1-phenylethyl]amino]methyl]phenyl]acetate
SMILESCOC(=O)C(O)c1cccc(C(N[C@H](C)c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C24H25NO3/c1-17(18-10-5-3-6-11-18)25-22(19-12-7-4-8-13-19)20-14-9-15-21(16-20)23(26)24(27)28-2/h3-17,22-23,25-26H,1-2H3/t17-,22?,23?/m1/s1
InChIKeyXQKLZSUPXHCMLH-UIFUMHDPSA-N
MW375.47 g/mol
LogP4.33
Rot. Bonds7

About methyl 2-hydroxy-2-[3-[phenyl-[[(1R)-1-phenylethyl]amino]methyl]phenyl]acetate

methyl 2-hydroxy-2-[3-[phenyl-[[(1R)-1-phenylethyl]amino]methyl]phenyl]acetate (PubChem CID 139837903) has the molecular formula C24H25NO3 and a molecular weight of 375.47 g/mol. Its IUPAC name is methyl 2-hydroxy-2-[3-[phenyl-[[(1R)-1-phenylethyl]amino]methyl]phenyl]acetate.

Molecular Properties

Compound Namemethyl 2-hydroxy-2-[3-[phenyl-[[(1R)-1-phenylethyl]amino]methyl]phenyl]acetate
PubChem CID139837903
Molecular FormulaC24H25NO3
Molecular Weight375.47 g/mol
Exact Mass375.18
IUPAC Namemethyl 2-hydroxy-2-[3-[phenyl-[[(1R)-1-phenylethyl]amino]methyl]phenyl]acetate
SMILESCOC(=O)C(O)c1cccc(C(N[C@H](C)c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C24H25NO3/c1-17(18-10-5-3-6-11-18)25-22(19-12-7-4-8-13-19)20-14-9-15-21(16-20)23(26)24(27)28-2/h3-17,22-23,25-26H,1-2H3/t17-,22?,23?/m1/s1
InChIKeyXQKLZSUPXHCMLH-UIFUMHDPSA-N
XLogP4.33
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze methyl 2-hydroxy-2-[3-[phenyl-[[(1R)-1-phenylethyl]amino]methyl]phenyl]acetate with MolForge

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Related Compounds

ethyl 3-[(4-methoxyphenyl)-[[(1R)-1-phenylethyl]amino]methyl]benzoate
CID 139837900
methyl (2S)-3-methyl-2-(1-phenylethylamino)butanoate
CID 43386362
[3-[(R)-phenyl-[[(1R)-1-phenylethyl]amino]methyl]phenyl]methanol
CID 131851990
methyl 2-(benzhydrylamino)-3-hydroxy-4-methylpentanoate
CID 102339823
methyl 2-(benzhydrylamino)-2-phenylacetate
CID 102355499
methyl (2S)-2-[[(4-hydroxyphenyl)-phenylmethyl]amino]propanoate
CID 43723711
methyl (2S,3R)-2-hydroxy-5-methyl-3-[[(1R)-1-phenylethyl]amino]hexanoate
CID 12019148
CID 71045122
CID 71045122
methyl (2R)-2-hydroxy-2-(4-phenylphenyl)acetate
CID 54430210
methyl 2-hydroxy-2-[3-(2-methoxyethyl)phenyl]acetate
CID 117108625
methyl 2-hydroxy-3-phenylbutanoate
CID 14023743
methyl 2-[[(1R)-1-(3-methylphenyl)ethyl]amino]propanoate
CID 81363693

Frequently Asked Questions

What is the IUPAC name of methyl 2-hydroxy-2-[3-[phenyl-[[(1R)-1-phenylethyl]amino]methyl]phenyl]acetate?
The IUPAC name of methyl 2-hydroxy-2-[3-[phenyl-[[(1R)-1-phenylethyl]amino]methyl]phenyl]acetate (CID 139837903) is methyl 2-hydroxy-2-[3-[phenyl-[[(1R)-1-phenylethyl]amino]methyl]phenyl]acetate.
What is the SMILES notation for methyl 2-hydroxy-2-[3-[phenyl-[[(1R)-1-phenylethyl]amino]methyl]phenyl]acetate?
The canonical SMILES for methyl 2-hydroxy-2-[3-[phenyl-[[(1R)-1-phenylethyl]amino]methyl]phenyl]acetate is COC(=O)C(O)c1cccc(C(N[C@H](C)c2ccccc2)c2ccccc2)c1.
What is the InChIKey of methyl 2-hydroxy-2-[3-[phenyl-[[(1R)-1-phenylethyl]amino]methyl]phenyl]acetate?
The InChIKey is XQKLZSUPXHCMLH-UIFUMHDPSA-N. The full InChI is InChI=1S/C24H25NO3/c1-17(18-10-5-3-6-11-18)25-22(19-12-7-4-8-13-19)20-14-9-15-21(16-20)23(26)24(27)28-2/h3-17,22-23,25-26H,1-2H3/t17-,22?,23?/m1/s1.
What are the key properties of methyl 2-hydroxy-2-[3-[phenyl-[[(1R)-1-phenylethyl]amino]methyl]phenyl]acetate?
methyl 2-hydroxy-2-[3-[phenyl-[[(1R)-1-phenylethyl]amino]methyl]phenyl]acetate has a molecular weight of 375.47 g/mol, XLogP of 4.33, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-hydroxy-2-[3-[phenyl-[[(1R)-1-phenylethyl]amino]methyl]phenyl]acetate is sourced from PubChem (CID 139837903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).