ethyl (2R,3R)-2-methoxy-3-(4-methoxyanilino)-3-phenylpropanoate

C19H23NO4 — CID 101189863

IUPACethyl (2R,3R)-2-methoxy-3-(4-methoxyanilino)-3-phenylpropanoate
SMILESCCOC(=O)[C@H](OC)[C@H](Nc1ccc(OC)cc1)c1ccccc1
InChIInChI=1S/C19H23NO4/c1-4-24-19(21)18(23-3)17(14-8-6-5-7-9-14)20-15-10-12-16(22-2)13-11-15/h5-13,17-18,20H,4H2,1-3H3/t17-,18-/m1/s1
InChIKeyLUHGBYVSFCMGEK-QZTJIDSGSA-N
MW329.40 g/mol
LogP3.43
Rot. Bonds8

About ethyl (2R,3R)-2-methoxy-3-(4-methoxyanilino)-3-phenylpropanoate

ethyl (2R,3R)-2-methoxy-3-(4-methoxyanilino)-3-phenylpropanoate (PubChem CID 101189863) has the molecular formula C19H23NO4 and a molecular weight of 329.40 g/mol. Its IUPAC name is ethyl (2R,3R)-2-methoxy-3-(4-methoxyanilino)-3-phenylpropanoate.

Molecular Properties

Compound Nameethyl (2R,3R)-2-methoxy-3-(4-methoxyanilino)-3-phenylpropanoate
PubChem CID101189863
Molecular FormulaC19H23NO4
Molecular Weight329.40 g/mol
Exact Mass329.16
IUPAC Nameethyl (2R,3R)-2-methoxy-3-(4-methoxyanilino)-3-phenylpropanoate
SMILESCCOC(=O)[C@H](OC)[C@H](Nc1ccc(OC)cc1)c1ccccc1
InChIInChI=1S/C19H23NO4/c1-4-24-19(21)18(23-3)17(14-8-6-5-7-9-14)20-15-10-12-16(22-2)13-11-15/h5-13,17-18,20H,4H2,1-3H3/t17-,18-/m1/s1
InChIKeyLUHGBYVSFCMGEK-QZTJIDSGSA-N
XLogP3.43
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

ethyl (2S,3R)-3-(4-methoxyanilino)-2-methyl-3-phenylpropanoate
CID 100975098
ethyl 2-(4-methoxyanilino)-2-phenylacetate
CID 13004504
ethyl 2-[anilino-(4-methoxyphenyl)methyl]butanoate
CID 171989556
methyl (2S,3R)-2-hydroxy-3-(4-methoxyanilino)-3-phenylpropanoate
CID 102470524
(1S,2R)-1-N-(4-methoxyphenyl)-1-phenylbutane-1,2-diamine
CID 101421459
ethyl 2-anilino-2-(4-methoxyphenyl)acetate
CID 60992586
ethyl 2-fluoro-3-(4-methoxyanilino)-2-methyl-3-phenylpropanoate
CID 139665562
(1R,2R)-2-(4-methoxyanilino)-1,2-diphenylethanol
CID 102584488
ethyl (2S,3R)-2-hydroxy-3-(4-methylanilino)-3-phenylpropanoate
CID 101189884
ethyl 3-(4-bromoanilino)-2-hydroxy-3-phenylpropanoate
CID 75062409
ethyl 2-(4-methoxyanilino)-3-methylbutanoate
CID 10753251
ethyl 2-fluoro-3-(4-methoxyanilino)-3-[4-(trifluoromethyl)phenyl]propanoate
CID 71608922

Frequently Asked Questions

What is the IUPAC name of ethyl (2R,3R)-2-methoxy-3-(4-methoxyanilino)-3-phenylpropanoate?
The IUPAC name of ethyl (2R,3R)-2-methoxy-3-(4-methoxyanilino)-3-phenylpropanoate (CID 101189863) is ethyl (2R,3R)-2-methoxy-3-(4-methoxyanilino)-3-phenylpropanoate.
What is the SMILES notation for ethyl (2R,3R)-2-methoxy-3-(4-methoxyanilino)-3-phenylpropanoate?
The canonical SMILES for ethyl (2R,3R)-2-methoxy-3-(4-methoxyanilino)-3-phenylpropanoate is CCOC(=O)[C@H](OC)[C@H](Nc1ccc(OC)cc1)c1ccccc1.
What is the InChIKey of ethyl (2R,3R)-2-methoxy-3-(4-methoxyanilino)-3-phenylpropanoate?
The InChIKey is LUHGBYVSFCMGEK-QZTJIDSGSA-N. The full InChI is InChI=1S/C19H23NO4/c1-4-24-19(21)18(23-3)17(14-8-6-5-7-9-14)20-15-10-12-16(22-2)13-11-15/h5-13,17-18,20H,4H2,1-3H3/t17-,18-/m1/s1.
What are the key properties of ethyl (2R,3R)-2-methoxy-3-(4-methoxyanilino)-3-phenylpropanoate?
ethyl (2R,3R)-2-methoxy-3-(4-methoxyanilino)-3-phenylpropanoate has a molecular weight of 329.40 g/mol, XLogP of 3.43, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R,3R)-2-methoxy-3-(4-methoxyanilino)-3-phenylpropanoate is sourced from PubChem (CID 101189863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).