[2-(3,4-dimethoxyanilino)-2-oxoethyl] (2R)-2-hydroxy-2-phenylacetate

C18H19NO6 — CID 7834231

IUPAC[2-(3,4-dimethoxyanilino)-2-oxoethyl] (2R)-2-hydroxy-2-phenylacetate
SMILESCOc1ccc(NC(=O)COC(=O)[C@H](O)c2ccccc2)cc1OC
InChIInChI=1S/C18H19NO6/c1-23-14-9-8-13(10-15(14)24-2)19-16(20)11-25-18(22)17(21)12-6-4-3-5-7-12/h3-10,17,21H,11H2,1-2H3,(H,19,20)/t17-/m1/s1
InChIKeyVLWHBQNYSZGKEZ-QGZVFWFLSA-N
MW345.35 g/mol
LogP1.92
Rot. Bonds7

About [2-(3,4-dimethoxyanilino)-2-oxoethyl] (2R)-2-hydroxy-2-phenylacetate

[2-(3,4-dimethoxyanilino)-2-oxoethyl] (2R)-2-hydroxy-2-phenylacetate (PubChem CID 7834231) has the molecular formula C18H19NO6 and a molecular weight of 345.35 g/mol. Its IUPAC name is [2-(3,4-dimethoxyanilino)-2-oxoethyl] (2R)-2-hydroxy-2-phenylacetate.

Molecular Properties

Compound Name[2-(3,4-dimethoxyanilino)-2-oxoethyl] (2R)-2-hydroxy-2-phenylacetate
PubChem CID7834231
Molecular FormulaC18H19NO6
Molecular Weight345.35 g/mol
Exact Mass345.12
IUPAC Name[2-(3,4-dimethoxyanilino)-2-oxoethyl] (2R)-2-hydroxy-2-phenylacetate
SMILESCOc1ccc(NC(=O)COC(=O)[C@H](O)c2ccccc2)cc1OC
InChIInChI=1S/C18H19NO6/c1-23-14-9-8-13(10-15(14)24-2)19-16(20)11-25-18(22)17(21)12-6-4-3-5-7-12/h3-10,17,21H,11H2,1-2H3,(H,19,20)/t17-/m1/s1
InChIKeyVLWHBQNYSZGKEZ-QGZVFWFLSA-N
XLogP1.92
TPSA94.09 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.35
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(3,4-dimethoxyanilino)-2-oxoethyl] 2-methylpropanoate
CID 7782633
[2-[(3,4-diethoxyphenyl)carbamoylamino]-2-oxoethyl] (2S)-2-hydroxy-2-phenylacetate
CID 7821118
[2-(3,4-dimethoxyanilino)-2-oxoethyl] 2-(2-methylphenyl)acetate
CID 8983402
[2-[3-(methylcarbamoyl)anilino]-2-oxoethyl] (2R)-2-hydroxy-2-phenylacetate
CID 9007692
[2-[3-(methylcarbamoyl)anilino]-2-oxoethyl] (2S)-2-hydroxy-2-phenylacetate
CID 9007695
[2-[4-[(2S)-butan-2-yl]anilino]-2-oxoethyl] (2S)-2-hydroxy-2-phenylacetate
CID 7834192
[2-[4-(4-methylphenoxy)anilino]-2-oxoethyl] (2R)-2-hydroxy-2-phenylacetate
CID 7834262
2-amino-N-(3,4-dimethoxyphenyl)-2-phenylacetamide
CID 24703599
[2-(3,4-dimethoxyanilino)-2-oxoethyl] 2-benzoylbenzoate
CID 2371288
N,N'-bis(3,4-dimethoxyphenyl)propanediamide
CID 21232287
[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl] 2-hydroxy-2-phenylacetate
CID 23911923
[2-(4-butylanilino)-2-oxoethyl] (2S)-2-hydroxy-2-phenylacetate
CID 7834240

Frequently Asked Questions

What is the IUPAC name of [2-(3,4-dimethoxyanilino)-2-oxoethyl] (2R)-2-hydroxy-2-phenylacetate?
The IUPAC name of [2-(3,4-dimethoxyanilino)-2-oxoethyl] (2R)-2-hydroxy-2-phenylacetate (CID 7834231) is [2-(3,4-dimethoxyanilino)-2-oxoethyl] (2R)-2-hydroxy-2-phenylacetate.
What is the SMILES notation for [2-(3,4-dimethoxyanilino)-2-oxoethyl] (2R)-2-hydroxy-2-phenylacetate?
The canonical SMILES for [2-(3,4-dimethoxyanilino)-2-oxoethyl] (2R)-2-hydroxy-2-phenylacetate is COc1ccc(NC(=O)COC(=O)[C@H](O)c2ccccc2)cc1OC.
What is the InChIKey of [2-(3,4-dimethoxyanilino)-2-oxoethyl] (2R)-2-hydroxy-2-phenylacetate?
The InChIKey is VLWHBQNYSZGKEZ-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H19NO6/c1-23-14-9-8-13(10-15(14)24-2)19-16(20)11-25-18(22)17(21)12-6-4-3-5-7-12/h3-10,17,21H,11H2,1-2H3,(H,19,20)/t17-/m1/s1.
What are the key properties of [2-(3,4-dimethoxyanilino)-2-oxoethyl] (2R)-2-hydroxy-2-phenylacetate?
[2-(3,4-dimethoxyanilino)-2-oxoethyl] (2R)-2-hydroxy-2-phenylacetate has a molecular weight of 345.35 g/mol, XLogP of 1.92, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,4-dimethoxyanilino)-2-oxoethyl] (2R)-2-hydroxy-2-phenylacetate is sourced from PubChem (CID 7834231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).