[1-(4-methoxyphenyl)-2-(methylamino)-2-oxoethyl] acetate

C12H15NO4 — CID 10776247

IUPAC[1-(4-methoxyphenyl)-2-(methylamino)-2-oxoethyl] acetate
SMILESCNC(=O)C(OC(C)=O)c1ccc(OC)cc1
InChIInChI=1S/C12H15NO4/c1-8(14)17-11(12(15)13-2)9-4-6-10(16-3)7-5-9/h4-7,11H,1-3H3,(H,13,15)
InChIKeyOCFIIGXOPWVIBE-UHFFFAOYSA-N
MW237.25 g/mol
LogP1.05
Rot. Bonds4

About [1-(4-methoxyphenyl)-2-(methylamino)-2-oxoethyl] acetate

[1-(4-methoxyphenyl)-2-(methylamino)-2-oxoethyl] acetate (PubChem CID 10776247) has the molecular formula C12H15NO4 and a molecular weight of 237.25 g/mol. Its IUPAC name is [1-(4-methoxyphenyl)-2-(methylamino)-2-oxoethyl] acetate.

Molecular Properties

Compound Name[1-(4-methoxyphenyl)-2-(methylamino)-2-oxoethyl] acetate
PubChem CID10776247
Molecular FormulaC12H15NO4
Molecular Weight237.25 g/mol
Exact Mass237.10
IUPAC Name[1-(4-methoxyphenyl)-2-(methylamino)-2-oxoethyl] acetate
SMILESCNC(=O)C(OC(C)=O)c1ccc(OC)cc1
InChIInChI=1S/C12H15NO4/c1-8(14)17-11(12(15)13-2)9-4-6-10(16-3)7-5-9/h4-7,11H,1-3H3,(H,13,15)
InChIKeyOCFIIGXOPWVIBE-UHFFFAOYSA-N
XLogP1.05
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[2-(4-Methoxyphenyl)ethylamino]-2-oxoethyl] cyclopropanecarboxylate
CID 2376869
[2-(Cyclopentylamino)-2-oxoethyl] 4-butoxybenzoate
CID 2434464
[2-(Benzylamino)-2-oxoethyl] 3-(4-methoxyphenyl)propanoate
CID 2523281
[2-(Cyclohexylamino)-2-oxoethyl] 2-(4-methoxyphenyl)acetate
CID 2556394
Methyl 4-[2-(cycloheptylamino)-2-oxoethoxy]benzoate
CID 6459430
[2-(Cyclopentylamino)-2-oxoethyl] 2-(3-methoxyphenyl)acetate
CID 7840249
[2-(Cyclopropylamino)-2-oxoethyl] 3-(2-methoxyphenyl)propanoate
CID 7871136
[2-(Cyclopentylamino)-2-oxoethyl] 3-(2-methoxyphenyl)propanoate
CID 8524336
[2-Oxo-2-(oxolan-2-ylmethylamino)ethyl] 2-fluoro-4-methoxybenzoate
CID 16299434
[1-(4-Methoxyphenyl)-1-oxopropan-2-yl] 2-(cyclohexanecarbonylamino)acetate
CID 16301994
[2-(Cyclohexylamino)-2-oxoethyl] 3-(2-methoxyphenyl)propanoate
CID 24671655
3-(4-methoxyphenyl)-N-methylpropanamide
CID 915378

Frequently Asked Questions

What is the IUPAC name of [1-(4-methoxyphenyl)-2-(methylamino)-2-oxoethyl] acetate?
The IUPAC name of [1-(4-methoxyphenyl)-2-(methylamino)-2-oxoethyl] acetate (CID 10776247) is [1-(4-methoxyphenyl)-2-(methylamino)-2-oxoethyl] acetate.
What is the SMILES notation for [1-(4-methoxyphenyl)-2-(methylamino)-2-oxoethyl] acetate?
The canonical SMILES for [1-(4-methoxyphenyl)-2-(methylamino)-2-oxoethyl] acetate is CNC(=O)C(OC(C)=O)c1ccc(OC)cc1.
What is the InChIKey of [1-(4-methoxyphenyl)-2-(methylamino)-2-oxoethyl] acetate?
The InChIKey is OCFIIGXOPWVIBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO4/c1-8(14)17-11(12(15)13-2)9-4-6-10(16-3)7-5-9/h4-7,11H,1-3H3,(H,13,15).
What are the key properties of [1-(4-methoxyphenyl)-2-(methylamino)-2-oxoethyl] acetate?
[1-(4-methoxyphenyl)-2-(methylamino)-2-oxoethyl] acetate has a molecular weight of 237.25 g/mol, XLogP of 1.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-methoxyphenyl)-2-(methylamino)-2-oxoethyl] acetate is sourced from PubChem (CID 10776247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).