methyl 2-(2-methoxyanilino)-2-(2-methylphenyl)acetate

C17H19NO3 — CID 60993730

IUPACmethyl 2-(2-methoxyanilino)-2-(2-methylphenyl)acetate
SMILESCOC(=O)C(Nc1ccccc1OC)c1ccccc1C
InChIInChI=1S/C17H19NO3/c1-12-8-4-5-9-13(12)16(17(19)21-3)18-14-10-6-7-11-15(14)20-2/h4-11,16,18H,1-3H3
InChIKeyAZMGWSXWOIJESY-UHFFFAOYSA-N
MW285.34 g/mol
LogP3.33
Rot. Bonds5

About methyl 2-(2-methoxyanilino)-2-(2-methylphenyl)acetate

methyl 2-(2-methoxyanilino)-2-(2-methylphenyl)acetate (PubChem CID 60993730) has the molecular formula C17H19NO3 and a molecular weight of 285.34 g/mol. Its IUPAC name is methyl 2-(2-methoxyanilino)-2-(2-methylphenyl)acetate.

Molecular Properties

Compound Namemethyl 2-(2-methoxyanilino)-2-(2-methylphenyl)acetate
PubChem CID60993730
Molecular FormulaC17H19NO3
Molecular Weight285.34 g/mol
Exact Mass285.14
IUPAC Namemethyl 2-(2-methoxyanilino)-2-(2-methylphenyl)acetate
SMILESCOC(=O)C(Nc1ccccc1OC)c1ccccc1C
InChIInChI=1S/C17H19NO3/c1-12-8-4-5-9-13(12)16(17(19)21-3)18-14-10-6-7-11-15(14)20-2/h4-11,16,18H,1-3H3
InChIKeyAZMGWSXWOIJESY-UHFFFAOYSA-N
XLogP3.33
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methoxy-N-[1-(2-methylphenyl)ethyl]aniline
CID 43191325
methyl 2-(4-chlorophenyl)-2-(2-methoxyanilino)acetate
CID 60993728
2-(4-fluoro-2-methylphenyl)-2-(2-methoxyanilino)acetic acid
CID 62134648
ethyl 2-(2-methoxyanilino)-2-phenylacetate
CID 13004503
methyl (2S)-2-(2-methoxyphenyl)propanoate
CID 12867082
methyl 3-hydroxy-2-(2-methoxyanilino)propanoate
CID 104711246
(2R)-2-(2-methoxyanilino)-2-(4-methylphenyl)acetic acid
CID 7148292
methyl 2-(2-bromoanilino)-2-(4-fluoro-2-methylphenyl)acetate
CID 62134309
dimethyl 2-(2-methylphenyl)propanedioate
CID 11276084
(2S)-2-(2-methoxyanilino)-2-phenylacetate
CID 7148257
(2R)-2-(2-methoxyanilino)-2-(4-methylphenyl)acetate
CID 7148291
2-(4-fluorophenyl)-2-(2-methoxyanilino)acetamide
CID 60710758

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-methoxyanilino)-2-(2-methylphenyl)acetate?
The IUPAC name of methyl 2-(2-methoxyanilino)-2-(2-methylphenyl)acetate (CID 60993730) is methyl 2-(2-methoxyanilino)-2-(2-methylphenyl)acetate.
What is the SMILES notation for methyl 2-(2-methoxyanilino)-2-(2-methylphenyl)acetate?
The canonical SMILES for methyl 2-(2-methoxyanilino)-2-(2-methylphenyl)acetate is COC(=O)C(Nc1ccccc1OC)c1ccccc1C.
What is the InChIKey of methyl 2-(2-methoxyanilino)-2-(2-methylphenyl)acetate?
The InChIKey is AZMGWSXWOIJESY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3/c1-12-8-4-5-9-13(12)16(17(19)21-3)18-14-10-6-7-11-15(14)20-2/h4-11,16,18H,1-3H3.
What are the key properties of methyl 2-(2-methoxyanilino)-2-(2-methylphenyl)acetate?
methyl 2-(2-methoxyanilino)-2-(2-methylphenyl)acetate has a molecular weight of 285.34 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-methoxyanilino)-2-(2-methylphenyl)acetate is sourced from PubChem (CID 60993730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).