[2-(3,4-dimethoxyanilino)-2-oxoethyl] 2-methylpropanoate

C14H19NO5 — CID 7782633

IUPAC[2-(3,4-dimethoxyanilino)-2-oxoethyl] 2-methylpropanoate
SMILESCOc1ccc(NC(=O)COC(=O)C(C)C)cc1OC
InChIInChI=1S/C14H19NO5/c1-9(2)14(17)20-8-13(16)15-10-5-6-11(18-3)12(7-10)19-4/h5-7,9H,8H2,1-4H3,(H,15,16)
InChIKeyMGNYYFQEMWNWGB-UHFFFAOYSA-N
MW281.31 g/mol
LogP1.84
Rot. Bonds6

About [2-(3,4-dimethoxyanilino)-2-oxoethyl] 2-methylpropanoate

[2-(3,4-dimethoxyanilino)-2-oxoethyl] 2-methylpropanoate (PubChem CID 7782633) has the molecular formula C14H19NO5 and a molecular weight of 281.31 g/mol. Its IUPAC name is [2-(3,4-dimethoxyanilino)-2-oxoethyl] 2-methylpropanoate.

Molecular Properties

Compound Name[2-(3,4-dimethoxyanilino)-2-oxoethyl] 2-methylpropanoate
PubChem CID7782633
Molecular FormulaC14H19NO5
Molecular Weight281.31 g/mol
Exact Mass281.13
IUPAC Name[2-(3,4-dimethoxyanilino)-2-oxoethyl] 2-methylpropanoate
SMILESCOc1ccc(NC(=O)COC(=O)C(C)C)cc1OC
InChIInChI=1S/C14H19NO5/c1-9(2)14(17)20-8-13(16)15-10-5-6-11(18-3)12(7-10)19-4/h5-7,9H,8H2,1-4H3,(H,15,16)
InChIKeyMGNYYFQEMWNWGB-UHFFFAOYSA-N
XLogP1.84
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(3,4-dimethoxyanilino)-2-oxoethyl] (2R)-2-hydroxy-2-phenylacetate
CID 7834231
N,N'-bis(3,4-dimethoxyphenyl)propanediamide
CID 21232287
[2-(3,4-dimethoxyanilino)-2-oxoethyl] 2-(2-methylphenyl)acetate
CID 8983402
[2-(3,5-dimethoxyanilino)-2-oxoethyl] 2-methylpropanoate
CID 23996290
[2-(3,4-dimethoxyanilino)-2-oxoethyl] 4-ethylbenzoate
CID 2607173
trans-[2-(3,4-dimethoxyanilino)-2-oxoethyl] (1R,2R)-2-methylcyclopropane-1-carboxylate
CID 8020711
[2-(3,4-dimethoxyanilino)-2-oxoethyl] 4-tert-butylbenzoate
CID 7814936
3-amino-N-(3,4-dimethoxyphenyl)-3-methylbutanamide
CID 64684929
[2-(3,4-dimethoxyanilino)-2-oxoethyl] 2-naphthalen-1-ylacetate
CID 2625312
(3,4-dimethoxyphenyl)urea
CID 21197430
N-(3,4-dimethoxyphenyl)-3-hydroxypropanamide
CID 94259640
[2-(3,4-dimethoxyanilino)-2-oxoethyl] (1S)-2,2-dichloro-1-methylcyclopropane-1-carboxylate
CID 2619183

Frequently Asked Questions

What is the IUPAC name of [2-(3,4-dimethoxyanilino)-2-oxoethyl] 2-methylpropanoate?
The IUPAC name of [2-(3,4-dimethoxyanilino)-2-oxoethyl] 2-methylpropanoate (CID 7782633) is [2-(3,4-dimethoxyanilino)-2-oxoethyl] 2-methylpropanoate.
What is the SMILES notation for [2-(3,4-dimethoxyanilino)-2-oxoethyl] 2-methylpropanoate?
The canonical SMILES for [2-(3,4-dimethoxyanilino)-2-oxoethyl] 2-methylpropanoate is COc1ccc(NC(=O)COC(=O)C(C)C)cc1OC.
What is the InChIKey of [2-(3,4-dimethoxyanilino)-2-oxoethyl] 2-methylpropanoate?
The InChIKey is MGNYYFQEMWNWGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO5/c1-9(2)14(17)20-8-13(16)15-10-5-6-11(18-3)12(7-10)19-4/h5-7,9H,8H2,1-4H3,(H,15,16).
What are the key properties of [2-(3,4-dimethoxyanilino)-2-oxoethyl] 2-methylpropanoate?
[2-(3,4-dimethoxyanilino)-2-oxoethyl] 2-methylpropanoate has a molecular weight of 281.31 g/mol, XLogP of 1.84, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,4-dimethoxyanilino)-2-oxoethyl] 2-methylpropanoate is sourced from PubChem (CID 7782633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).