[2-(2-methoxy-5-methylanilino)-2-oxoethyl] 2-methyl-2-phenylpropanoate

C20H23NO4 — CID 7984751

IUPAC[2-(2-methoxy-5-methylanilino)-2-oxoethyl] 2-methyl-2-phenylpropanoate
SMILESCOc1ccc(C)cc1NC(=O)COC(=O)C(C)(C)c1ccccc1
InChIInChI=1S/C20H23NO4/c1-14-10-11-17(24-4)16(12-14)21-18(22)13-25-19(23)20(2,3)15-8-6-5-7-9-15/h5-12H,13H2,1-4H3,(H,21,22)
InChIKeyDZAFPOWMZUECBT-UHFFFAOYSA-N
MW341.41 g/mol
LogP3.46
Rot. Bonds6

About [2-(2-methoxy-5-methylanilino)-2-oxoethyl] 2-methyl-2-phenylpropanoate

[2-(2-methoxy-5-methylanilino)-2-oxoethyl] 2-methyl-2-phenylpropanoate (PubChem CID 7984751) 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] 2-methyl-2-phenylpropanoate.

Molecular Properties

Compound Name[2-(2-methoxy-5-methylanilino)-2-oxoethyl] 2-methyl-2-phenylpropanoate
PubChem CID7984751
Molecular FormulaC20H23NO4
Molecular Weight341.41 g/mol
Exact Mass341.16
IUPAC Name[2-(2-methoxy-5-methylanilino)-2-oxoethyl] 2-methyl-2-phenylpropanoate
SMILESCOc1ccc(C)cc1NC(=O)COC(=O)C(C)(C)c1ccccc1
InChIInChI=1S/C20H23NO4/c1-14-10-11-17(24-4)16(12-14)21-18(22)13-25-19(23)20(2,3)15-8-6-5-7-9-15/h5-12H,13H2,1-4H3,(H,21,22)
InChIKeyDZAFPOWMZUECBT-UHFFFAOYSA-N
XLogP3.46
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(2-methoxy-5-methylanilino)-2-oxoethyl] 2-methoxybenzoate
CID 2715006
[(1R)-2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 2-methyl-2-phenylpropanoate
CID 7984559
[2-(2-methoxy-5-methylanilino)-2-oxoethyl] (3R)-3-phenylbutanoate
CID 7266073
[2-(2-methoxy-5-methylanilino)-2-oxoethyl] 2-(2-methylphenyl)acetate
CID 8983228
[2-(2-methoxy-5-methylanilino)-2-oxoethyl] (2R,3S)-3-methyl-2-phenylpentanoate
CID 7772946
[2-(2,4-dichloroanilino)-2-oxoethyl] 2-methyl-2-phenylpropanoate
CID 7931151
[2-(2-methoxy-5-methylanilino)-2-oxoethyl] (2R)-2-phenyl-2-phenylsulfanylacetate
CID 8821252
N-(2-methoxy-5-methylphenyl)-2-[2-(trifluoromethyl)phenoxy]acetamide
CID 51283496
[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2-methyl-2-phenylpropanoate
CID 17393371
N-(2-methoxy-5-methylphenyl)-2-propan-2-yloxyacetamide
CID 47410584
N-(2-methoxy-5-methylphenyl)-2-(3-phenoxyphenoxy)acetamide
CID 2108595
[2-(2-methoxy-5-methylanilino)-2-oxoethyl] 4-tert-butylcyclohexane-1-carboxylate
CID 8708974

Frequently Asked Questions

What is the IUPAC name of [2-(2-methoxy-5-methylanilino)-2-oxoethyl] 2-methyl-2-phenylpropanoate?
The IUPAC name of [2-(2-methoxy-5-methylanilino)-2-oxoethyl] 2-methyl-2-phenylpropanoate (CID 7984751) is [2-(2-methoxy-5-methylanilino)-2-oxoethyl] 2-methyl-2-phenylpropanoate.
What is the SMILES notation for [2-(2-methoxy-5-methylanilino)-2-oxoethyl] 2-methyl-2-phenylpropanoate?
The canonical SMILES for [2-(2-methoxy-5-methylanilino)-2-oxoethyl] 2-methyl-2-phenylpropanoate is COc1ccc(C)cc1NC(=O)COC(=O)C(C)(C)c1ccccc1.
What is the InChIKey of [2-(2-methoxy-5-methylanilino)-2-oxoethyl] 2-methyl-2-phenylpropanoate?
The InChIKey is DZAFPOWMZUECBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO4/c1-14-10-11-17(24-4)16(12-14)21-18(22)13-25-19(23)20(2,3)15-8-6-5-7-9-15/h5-12H,13H2,1-4H3,(H,21,22).
What are the key properties of [2-(2-methoxy-5-methylanilino)-2-oxoethyl] 2-methyl-2-phenylpropanoate?
[2-(2-methoxy-5-methylanilino)-2-oxoethyl] 2-methyl-2-phenylpropanoate has a molecular weight of 341.41 g/mol, XLogP of 3.46, 6 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] 2-methyl-2-phenylpropanoate is sourced from PubChem (CID 7984751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).