methyl 3-hydroxy-3-(4-methoxyphenyl)-2-[(2-phenylacetyl)amino]propanoate

C19H21NO5 — CID 84579662

IUPACmethyl 3-hydroxy-3-(4-methoxyphenyl)-2-[(2-phenylacetyl)amino]propanoate
SMILESCOC(=O)C(NC(=O)Cc1ccccc1)C(O)c1ccc(OC)cc1
InChIInChI=1S/C19H21NO5/c1-24-15-10-8-14(9-11-15)18(22)17(19(23)25-2)20-16(21)12-13-6-4-3-5-7-13/h3-11,17-18,22H,12H2,1-2H3,(H,20,21)
InChIKeyFGGIYBZKOKRMRU-UHFFFAOYSA-N
MW343.38 g/mol
LogP1.63
Rot. Bonds7

About methyl 3-hydroxy-3-(4-methoxyphenyl)-2-[(2-phenylacetyl)amino]propanoate

methyl 3-hydroxy-3-(4-methoxyphenyl)-2-[(2-phenylacetyl)amino]propanoate (PubChem CID 84579662) has the molecular formula C19H21NO5 and a molecular weight of 343.38 g/mol. Its IUPAC name is methyl 3-hydroxy-3-(4-methoxyphenyl)-2-[(2-phenylacetyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 3-hydroxy-3-(4-methoxyphenyl)-2-[(2-phenylacetyl)amino]propanoate
PubChem CID84579662
Molecular FormulaC19H21NO5
Molecular Weight343.38 g/mol
Exact Mass343.14
IUPAC Namemethyl 3-hydroxy-3-(4-methoxyphenyl)-2-[(2-phenylacetyl)amino]propanoate
SMILESCOC(=O)C(NC(=O)Cc1ccccc1)C(O)c1ccc(OC)cc1
InChIInChI=1S/C19H21NO5/c1-24-15-10-8-14(9-11-15)18(22)17(19(23)25-2)20-16(21)12-13-6-4-3-5-7-13/h3-11,17-18,22H,12H2,1-2H3,(H,20,21)
InChIKeyFGGIYBZKOKRMRU-UHFFFAOYSA-N
XLogP1.63
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-hydroxy-2-(methoxycarbonylamino)-3-(4-methoxyphenyl)propanoate
CID 84581659
(2S)-3-hydroxy-3-phenyl-2-[(2-phenylacetyl)amino]propanoic acid
CID 54231221
N-[(1R)-1-(4-methoxyphenyl)propyl]-2-phenylacetamide
CID 28632525
methyl (2R,3R)-2-benzamido-3-hydroxy-3-(4-phenylmethoxyphenyl)propanoate
CID 135065937
methyl (2S,3S)-3-hydroxy-3-phenyl-2-(phenylmethoxycarbonylamino)propanoate
CID 100937559
3-[4-(difluoromethoxy)phenyl]-3-hydroxy-2-[(2-phenylacetyl)amino]propanoic acid
CID 176955943
methyl 3-hydroxy-3-(4-methoxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 138474448
methyl 3-hydroxy-3-(4-methoxyphenyl)-2-(pyridine-4-carbonylamino)propanoate
CID 84581693
methyl 3-hydroxy-2-[(3-hydroxybenzoyl)amino]-3-(4-methoxyphenyl)propanoate
CID 84582172
2-(4-methoxyphenyl)-N-[phenyl-(4-phenylphenyl)methyl]acetamide
CID 2964251
N-[1-(4-aminophenyl)-1,3-dihydroxypropan-2-yl]-2-(4-methoxyphenyl)acetamide
CID 54852716
N-[2-(3-methoxyphenyl)-1-(4-methoxyphenyl)ethyl]-2-phenylacetamide
CID 143753176

Frequently Asked Questions

What is the IUPAC name of methyl 3-hydroxy-3-(4-methoxyphenyl)-2-[(2-phenylacetyl)amino]propanoate?
The IUPAC name of methyl 3-hydroxy-3-(4-methoxyphenyl)-2-[(2-phenylacetyl)amino]propanoate (CID 84579662) is methyl 3-hydroxy-3-(4-methoxyphenyl)-2-[(2-phenylacetyl)amino]propanoate.
What is the SMILES notation for methyl 3-hydroxy-3-(4-methoxyphenyl)-2-[(2-phenylacetyl)amino]propanoate?
The canonical SMILES for methyl 3-hydroxy-3-(4-methoxyphenyl)-2-[(2-phenylacetyl)amino]propanoate is COC(=O)C(NC(=O)Cc1ccccc1)C(O)c1ccc(OC)cc1.
What is the InChIKey of methyl 3-hydroxy-3-(4-methoxyphenyl)-2-[(2-phenylacetyl)amino]propanoate?
The InChIKey is FGGIYBZKOKRMRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO5/c1-24-15-10-8-14(9-11-15)18(22)17(19(23)25-2)20-16(21)12-13-6-4-3-5-7-13/h3-11,17-18,22H,12H2,1-2H3,(H,20,21).
What are the key properties of methyl 3-hydroxy-3-(4-methoxyphenyl)-2-[(2-phenylacetyl)amino]propanoate?
methyl 3-hydroxy-3-(4-methoxyphenyl)-2-[(2-phenylacetyl)amino]propanoate has a molecular weight of 343.38 g/mol, XLogP of 1.63, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-hydroxy-3-(4-methoxyphenyl)-2-[(2-phenylacetyl)amino]propanoate is sourced from PubChem (CID 84579662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).