[2-(2-methoxy-5-methylanilino)-2-oxoethyl] (3R)-3-phenylbutanoate

C20H23NO4 — CID 7266073

IUPAC[2-(2-methoxy-5-methylanilino)-2-oxoethyl] (3R)-3-phenylbutanoate
SMILESCOc1ccc(C)cc1NC(=O)COC(=O)C[C@@H](C)c1ccccc1
InChIInChI=1S/C20H23NO4/c1-14-9-10-18(24-3)17(11-14)21-19(22)13-25-20(23)12-15(2)16-7-5-4-6-8-16/h4-11,15H,12-13H2,1-3H3,(H,21,22)/t15-/m1/s1
InChIKeyGACJIWPZHCUNEK-OAHLLOKOSA-N
MW341.41 g/mol
LogP3.68
Rot. Bonds7

About [2-(2-methoxy-5-methylanilino)-2-oxoethyl] (3R)-3-phenylbutanoate

[2-(2-methoxy-5-methylanilino)-2-oxoethyl] (3R)-3-phenylbutanoate (PubChem CID 7266073) has the molecular formula C20H23NO4 and a molecular weight of 341.41 g/mol. Its IUPAC name is [2-(2-methoxy-5-methylanilino)-2-oxoethyl] (3R)-3-phenylbutanoate.

Molecular Properties

Compound Name[2-(2-methoxy-5-methylanilino)-2-oxoethyl] (3R)-3-phenylbutanoate
PubChem CID7266073
Molecular FormulaC20H23NO4
Molecular Weight341.41 g/mol
Exact Mass341.16
IUPAC Name[2-(2-methoxy-5-methylanilino)-2-oxoethyl] (3R)-3-phenylbutanoate
SMILESCOc1ccc(C)cc1NC(=O)COC(=O)C[C@@H](C)c1ccccc1
InChIInChI=1S/C20H23NO4/c1-14-9-10-18(24-3)17(11-14)21-19(22)13-25-20(23)12-15(2)16-7-5-4-6-8-16/h4-11,15H,12-13H2,1-3H3,(H,21,22)/t15-/m1/s1
InChIKeyGACJIWPZHCUNEK-OAHLLOKOSA-N
XLogP3.68
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(2-methoxy-5-methylanilino)-2-oxoethyl] (2R,3S)-3-methyl-2-phenylpentanoate
CID 7772946
[2-(2-methoxy-5-methylanilino)-2-oxoethyl] (2R)-2-phenyl-2-phenylsulfanylacetate
CID 8821252
[2-(2-methoxy-5-methylanilino)-2-oxoethyl] 2-(4-propan-2-ylphenoxy)acetate
CID 40696696
[2-(2-methoxy-5-methylanilino)-2-oxoethyl] 2-(2-methylphenyl)acetate
CID 8983228
[2-(2-methoxy-5-methylanilino)-2-oxoethyl] 2-methoxybenzoate
CID 2715006
[2-(2-methoxy-5-methylanilino)-2-oxoethyl] 2-(2,4-dimethylphenyl)sulfanylacetate
CID 7676056
[2-(2-methoxyanilino)-2-oxoethyl] 3,3-diphenylpropanoate
CID 2356149
N-(2-methoxy-5-methylphenyl)-2-propan-2-yloxyacetamide
CID 47410584
[2-(2-methoxy-5-methylanilino)-2-oxoethyl] 2-methyl-2-phenylpropanoate
CID 7984751
[2-(4,5-dimethyl-2-nitroanilino)-2-oxoethyl] (3R)-3-phenylbutanoate
CID 7266186
[2-(2,5-dimethoxyanilino)-2-oxoethyl] 2,2-diphenylacetate
CID 4145246
[2-(2-methoxy-5-methylanilino)-2-oxoethyl] 2-(4-bromophenoxy)acetate
CID 40712962

Frequently Asked Questions

What is the IUPAC name of [2-(2-methoxy-5-methylanilino)-2-oxoethyl] (3R)-3-phenylbutanoate?
The IUPAC name of [2-(2-methoxy-5-methylanilino)-2-oxoethyl] (3R)-3-phenylbutanoate (CID 7266073) is [2-(2-methoxy-5-methylanilino)-2-oxoethyl] (3R)-3-phenylbutanoate.
What is the SMILES notation for [2-(2-methoxy-5-methylanilino)-2-oxoethyl] (3R)-3-phenylbutanoate?
The canonical SMILES for [2-(2-methoxy-5-methylanilino)-2-oxoethyl] (3R)-3-phenylbutanoate is COc1ccc(C)cc1NC(=O)COC(=O)C[C@@H](C)c1ccccc1.
What is the InChIKey of [2-(2-methoxy-5-methylanilino)-2-oxoethyl] (3R)-3-phenylbutanoate?
The InChIKey is GACJIWPZHCUNEK-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H23NO4/c1-14-9-10-18(24-3)17(11-14)21-19(22)13-25-20(23)12-15(2)16-7-5-4-6-8-16/h4-11,15H,12-13H2,1-3H3,(H,21,22)/t15-/m1/s1.
What are the key properties of [2-(2-methoxy-5-methylanilino)-2-oxoethyl] (3R)-3-phenylbutanoate?
[2-(2-methoxy-5-methylanilino)-2-oxoethyl] (3R)-3-phenylbutanoate has a molecular weight of 341.41 g/mol, XLogP of 3.68, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methoxy-5-methylanilino)-2-oxoethyl] (3R)-3-phenylbutanoate is sourced from PubChem (CID 7266073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).