methyl 2-(N-acetyl-2-methylanilino)acetate

C12H15NO3 — CID 20717630

IUPACmethyl 2-(N-acetyl-2-methylanilino)acetate
SMILESCOC(=O)CN(C(C)=O)c1ccccc1C
InChIInChI=1S/C12H15NO3/c1-9-6-4-5-7-11(9)13(10(2)14)8-12(15)16-3/h4-7H,8H2,1-3H3
InChIKeyYEIKAUXRTWTHFX-UHFFFAOYSA-N
MW221.26 g/mol
LogP1.52
Rot. Bonds3

About methyl 2-(N-acetyl-2-methylanilino)acetate

methyl 2-(N-acetyl-2-methylanilino)acetate (PubChem CID 20717630) has the molecular formula C12H15NO3 and a molecular weight of 221.26 g/mol. Its IUPAC name is methyl 2-(N-acetyl-2-methylanilino)acetate.

Molecular Properties

Compound Namemethyl 2-(N-acetyl-2-methylanilino)acetate
PubChem CID20717630
Molecular FormulaC12H15NO3
Molecular Weight221.26 g/mol
Exact Mass221.11
IUPAC Namemethyl 2-(N-acetyl-2-methylanilino)acetate
SMILESCOC(=O)CN(C(C)=O)c1ccccc1C
InChIInChI=1S/C12H15NO3/c1-9-6-4-5-7-11(9)13(10(2)14)8-12(15)16-3/h4-7H,8H2,1-3H3
InChIKeyYEIKAUXRTWTHFX-UHFFFAOYSA-N
XLogP1.52
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-(N-acetyl-2-methylanilino)propanoate
CID 75507009
2-(N-acetyl-2-methylanilino)-N-(3,4,5-trimethoxyphenyl)acetamide
CID 113167430
N-(2-methylphenyl)-N-(propan-2-yloxymethyl)acetamide
CID 66617334
2-(N-acetyl-2-methylanilino)-N-(3,4-dimethoxyphenyl)acetamide
CID 113167396
methyl 2-[2-[bis(2-methoxy-2-oxoethyl)amino]-N-(2-methoxy-2-oxoethyl)anilino]acetate
CID 70130679
2-(N-acetyl-2-methylanilino)-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 113167302
2-(N-acetyl-2-methylanilino)-N-(4-phenoxyphenyl)acetamide
CID 113167416
methyl 3-[[2-(N-ethyl-2-methylanilino)-2-oxoethyl]-methylamino]propanoate
CID 62013232
2-(N-acetyl-2-methylanilino)-N-(2,5-dimethoxyphenyl)acetamide
CID 113167394
2-(N-acetyl-2-methylanilino)-N-butyl-N-methylacetamide
CID 113167338
2-(N-acetyl-2-methylanilino)-N-(2-propan-2-yloxyphenyl)acetamide
CID 113167392
methyl 2-(N-acetyl-2-cyano-3-nitroanilino)acetate
CID 129111158

Frequently Asked Questions

What is the IUPAC name of methyl 2-(N-acetyl-2-methylanilino)acetate?
The IUPAC name of methyl 2-(N-acetyl-2-methylanilino)acetate (CID 20717630) is methyl 2-(N-acetyl-2-methylanilino)acetate.
What is the SMILES notation for methyl 2-(N-acetyl-2-methylanilino)acetate?
The canonical SMILES for methyl 2-(N-acetyl-2-methylanilino)acetate is COC(=O)CN(C(C)=O)c1ccccc1C.
What is the InChIKey of methyl 2-(N-acetyl-2-methylanilino)acetate?
The InChIKey is YEIKAUXRTWTHFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO3/c1-9-6-4-5-7-11(9)13(10(2)14)8-12(15)16-3/h4-7H,8H2,1-3H3.
What are the key properties of methyl 2-(N-acetyl-2-methylanilino)acetate?
methyl 2-(N-acetyl-2-methylanilino)acetate has a molecular weight of 221.26 g/mol, XLogP of 1.52, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(N-acetyl-2-methylanilino)acetate is sourced from PubChem (CID 20717630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).