methyl 2-anilino-2-(3,4-dimethylphenyl)acetate

C17H19NO2 — CID 60990951

IUPACmethyl 2-anilino-2-(3,4-dimethylphenyl)acetate
SMILESCOC(=O)C(Nc1ccccc1)c1ccc(C)c(C)c1
InChIInChI=1S/C17H19NO2/c1-12-9-10-14(11-13(12)2)16(17(19)20-3)18-15-7-5-4-6-8-15/h4-11,16,18H,1-3H3
InChIKeyHTWQOOXCAPDIBJ-UHFFFAOYSA-N
MW269.34 g/mol
LogP3.63
Rot. Bonds4

About methyl 2-anilino-2-(3,4-dimethylphenyl)acetate

methyl 2-anilino-2-(3,4-dimethylphenyl)acetate (PubChem CID 60990951) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is methyl 2-anilino-2-(3,4-dimethylphenyl)acetate.

Molecular Properties

Compound Namemethyl 2-anilino-2-(3,4-dimethylphenyl)acetate
PubChem CID60990951
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC Namemethyl 2-anilino-2-(3,4-dimethylphenyl)acetate
SMILESCOC(=O)C(Nc1ccccc1)c1ccc(C)c(C)c1
InChIInChI=1S/C17H19NO2/c1-12-9-10-14(11-13(12)2)16(17(19)20-3)18-15-7-5-4-6-8-15/h4-11,16,18H,1-3H3
InChIKeyHTWQOOXCAPDIBJ-UHFFFAOYSA-N
XLogP3.63
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-anilino-2-(3-methylphenyl)acetate
CID 54889768
methyl 2-phenyl-2-(3,4,5-trimethylanilino)acetate
CID 162406371
methyl 2-anilino-2-(3-iodophenyl)acetate
CID 114283019
2-anilino-2-(3,4-dimethoxyphenyl)acetamide
CID 61005050
2-(3-bromoanilino)-2-(3,4-dimethylphenyl)acetic acid
CID 60993854
methyl 2-(cyclopentylamino)-2-(3,4-dimethylphenyl)acetate
CID 54894017
methyl 2-(3-chloro-4-methylphenyl)-2-(2-methylanilino)acetate
CID 106817672
ethyl 2-anilino-2-(3,4-dichlorophenyl)acetate
CID 60991921
ethyl 2-anilino-2-(4-methoxyphenyl)acetate
CID 60992586
2-anilino-2-(3-chloro-4-methoxyphenyl)acetamide
CID 65026961
methyl 2-chloro-2-(3,4-dimethylphenyl)acetate
CID 62224922
(2R)-2-(3,4-dimethylanilino)-2-phenylacetic acid
CID 7148217

Frequently Asked Questions

What is the IUPAC name of methyl 2-anilino-2-(3,4-dimethylphenyl)acetate?
The IUPAC name of methyl 2-anilino-2-(3,4-dimethylphenyl)acetate (CID 60990951) is methyl 2-anilino-2-(3,4-dimethylphenyl)acetate.
What is the SMILES notation for methyl 2-anilino-2-(3,4-dimethylphenyl)acetate?
The canonical SMILES for methyl 2-anilino-2-(3,4-dimethylphenyl)acetate is COC(=O)C(Nc1ccccc1)c1ccc(C)c(C)c1.
What is the InChIKey of methyl 2-anilino-2-(3,4-dimethylphenyl)acetate?
The InChIKey is HTWQOOXCAPDIBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2/c1-12-9-10-14(11-13(12)2)16(17(19)20-3)18-15-7-5-4-6-8-15/h4-11,16,18H,1-3H3.
What are the key properties of methyl 2-anilino-2-(3,4-dimethylphenyl)acetate?
methyl 2-anilino-2-(3,4-dimethylphenyl)acetate has a molecular weight of 269.34 g/mol, XLogP of 3.63, 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-(3,4-dimethylphenyl)acetate is sourced from PubChem (CID 60990951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).