methyl 2-anilino-2-(3-methylphenyl)acetate

C16H17NO2 — CID 54889768

IUPACmethyl 2-anilino-2-(3-methylphenyl)acetate
SMILESCOC(=O)C(Nc1ccccc1)c1cccc(C)c1
InChIInChI=1S/C16H17NO2/c1-12-7-6-8-13(11-12)15(16(18)19-2)17-14-9-4-3-5-10-14/h3-11,15,17H,1-2H3
InChIKeyMZRUOCMDUUZWET-UHFFFAOYSA-N
MW255.32 g/mol
LogP3.32
Rot. Bonds4

About methyl 2-anilino-2-(3-methylphenyl)acetate

methyl 2-anilino-2-(3-methylphenyl)acetate (PubChem CID 54889768) has the molecular formula C16H17NO2 and a molecular weight of 255.32 g/mol. Its IUPAC name is methyl 2-anilino-2-(3-methylphenyl)acetate.

Molecular Properties

Compound Namemethyl 2-anilino-2-(3-methylphenyl)acetate
PubChem CID54889768
Molecular FormulaC16H17NO2
Molecular Weight255.32 g/mol
Exact Mass255.13
IUPAC Namemethyl 2-anilino-2-(3-methylphenyl)acetate
SMILESCOC(=O)C(Nc1ccccc1)c1cccc(C)c1
InChIInChI=1S/C16H17NO2/c1-12-7-6-8-13(11-12)15(16(18)19-2)17-14-9-4-3-5-10-14/h3-11,15,17H,1-2H3
InChIKeyMZRUOCMDUUZWET-UHFFFAOYSA-N
XLogP3.32
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-anilino-2-(3-iodophenyl)acetate
CID 114283019
methyl 2-[(R)-anilino-(3-methylphenyl)methyl]prop-2-enoate
CID 132560929
methyl 2-(2-methylanilino)-2-(3-methylphenyl)acetate
CID 60992633
methyl 2-anilino-2-(3,4-dimethylphenyl)acetate
CID 60990951
methyl 2-(3-fluorophenyl)-2-(4-methylanilino)acetate
CID 60991774
methyl 2-(4-fluorophenyl)-2-(3-methylanilino)acetate
CID 60993493
methyl 2-phenyl-2-(3,4,5-trimethylanilino)acetate
CID 162406371
methyl 2-[3-(methylcarbamoyl)anilino]-2-phenylacetate
CID 17393629
methyl 2-(2-bromophenyl)-2-(3-methylanilino)acetate
CID 60993931
2-anilino-2-(3-methoxyphenyl)acetamide
CID 54889449
dimethyl 2-(3-methylphenyl)propanedioate;ethane
CID 170957140
methyl (2S)-2-[(2,6-dihydroxybenzoyl)amino]-2-(3-methylphenyl)acetate
CID 95552550

Frequently Asked Questions

What is the IUPAC name of methyl 2-anilino-2-(3-methylphenyl)acetate?
The IUPAC name of methyl 2-anilino-2-(3-methylphenyl)acetate (CID 54889768) is methyl 2-anilino-2-(3-methylphenyl)acetate.
What is the SMILES notation for methyl 2-anilino-2-(3-methylphenyl)acetate?
The canonical SMILES for methyl 2-anilino-2-(3-methylphenyl)acetate is COC(=O)C(Nc1ccccc1)c1cccc(C)c1.
What is the InChIKey of methyl 2-anilino-2-(3-methylphenyl)acetate?
The InChIKey is MZRUOCMDUUZWET-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2/c1-12-7-6-8-13(11-12)15(16(18)19-2)17-14-9-4-3-5-10-14/h3-11,15,17H,1-2H3.
What are the key properties of methyl 2-anilino-2-(3-methylphenyl)acetate?
methyl 2-anilino-2-(3-methylphenyl)acetate has a molecular weight of 255.32 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-anilino-2-(3-methylphenyl)acetate is sourced from PubChem (CID 54889768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).