[2-(3-methylanilino)-2-oxoethyl] acetate

C11H13NO3 — CID 531943

IUPAC[2-(3-methylanilino)-2-oxoethyl] acetate
SMILESCC(=O)OCC(=O)Nc1cccc(C)c1
InChIInChI=1S/C11H13NO3/c1-8-4-3-5-10(6-8)12-11(14)7-15-9(2)13/h3-6H,7H2,1-2H3,(H,12,14)
InChIKeyVEMKKDAOHMQINO-UHFFFAOYSA-N
MW207.23 g/mol
LogP1.50
Rot. Bonds3

About [2-(3-methylanilino)-2-oxoethyl] acetate

[2-(3-methylanilino)-2-oxoethyl] acetate (PubChem CID 531943) has the molecular formula C11H13NO3 and a molecular weight of 207.23 g/mol. Its IUPAC name is [2-(3-methylanilino)-2-oxoethyl] acetate.

Molecular Properties

Compound Name[2-(3-methylanilino)-2-oxoethyl] acetate
PubChem CID531943
Molecular FormulaC11H13NO3
Molecular Weight207.23 g/mol
Exact Mass207.09
IUPAC Name[2-(3-methylanilino)-2-oxoethyl] acetate
SMILESCC(=O)OCC(=O)Nc1cccc(C)c1
InChIInChI=1S/C11H13NO3/c1-8-4-3-5-10(6-8)12-11(14)7-15-9(2)13/h3-6H,7H2,1-2H3,(H,12,14)
InChIKeyVEMKKDAOHMQINO-UHFFFAOYSA-N
XLogP1.50
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(3-methylanilino)-2-oxoethyl] 2-acetamido-3-methylbutanoate
CID 84603394
2-(3-methylphenoxy)-N-(3-methylphenyl)acetamide
CID 2787094
N-(3-methylphenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112604930
[2-(3-methylanilino)-2-oxoethyl] 3-hydroxybenzoate
CID 2628228
[2-(3-methylanilino)-2-oxoethyl] 4-methylpentanoate
CID 84603861
[2-(3-methylanilino)-2-oxoethyl] 2-chlorobenzoate
CID 2624326
[2-(3-methylanilino)-2-oxoethyl] 4-(4-acetyloxyphenyl)benzoate
CID 7373696
2-(1-amino-2-methylpropan-2-yl)oxy-N-(3-methylphenyl)acetamide
CID 65053563
[2-(3-methylanilino)-2-oxoethyl] 3-iodobenzoate
CID 2555783
N-(3-methylphenyl)acetamide
CID 10843
[2-(3-methylanilino)-2-oxoethyl] 2-(4-ethoxyphenoxy)acetate
CID 7606225
2-(2-methylphenoxy)-N-(3-methylphenyl)acetamide
CID 747103

Frequently Asked Questions

What is the IUPAC name of [2-(3-methylanilino)-2-oxoethyl] acetate?
The IUPAC name of [2-(3-methylanilino)-2-oxoethyl] acetate (CID 531943) is [2-(3-methylanilino)-2-oxoethyl] acetate.
What is the SMILES notation for [2-(3-methylanilino)-2-oxoethyl] acetate?
The canonical SMILES for [2-(3-methylanilino)-2-oxoethyl] acetate is CC(=O)OCC(=O)Nc1cccc(C)c1.
What is the InChIKey of [2-(3-methylanilino)-2-oxoethyl] acetate?
The InChIKey is VEMKKDAOHMQINO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO3/c1-8-4-3-5-10(6-8)12-11(14)7-15-9(2)13/h3-6H,7H2,1-2H3,(H,12,14).
What are the key properties of [2-(3-methylanilino)-2-oxoethyl] acetate?
[2-(3-methylanilino)-2-oxoethyl] acetate has a molecular weight of 207.23 g/mol, XLogP of 1.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-methylanilino)-2-oxoethyl] acetate is sourced from PubChem (CID 531943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).