(2R)-2-(2-methoxyanilino)-2-(4-methylphenyl)acetate

C16H16NO3- — CID 7148291

IUPAC(2R)-2-(2-methoxyanilino)-2-(4-methylphenyl)acetate
SMILESCOc1ccccc1N[C@@H](C(=O)[O-])c1ccc(C)cc1
InChIInChI=1S/C16H17NO3/c1-11-7-9-12(10-8-11)15(16(18)19)17-13-5-3-4-6-14(13)20-2/h3-10,15,17H,1-2H3,(H,18,19)/p-1/t15-/m1/s1
InChIKeyJFJDQCJOQVTAOH-OAHLLOKOSA-M
MW270.31 g/mol
LogP1.91
Rot. Bonds5

About (2R)-2-(2-methoxyanilino)-2-(4-methylphenyl)acetate

(2R)-2-(2-methoxyanilino)-2-(4-methylphenyl)acetate (PubChem CID 7148291) has the molecular formula C16H16NO3- and a molecular weight of 270.31 g/mol. Its IUPAC name is (2R)-2-(2-methoxyanilino)-2-(4-methylphenyl)acetate.

Molecular Properties

Compound Name(2R)-2-(2-methoxyanilino)-2-(4-methylphenyl)acetate
PubChem CID7148291
Molecular FormulaC16H16NO3-
Molecular Weight270.31 g/mol
Exact Mass270.11
IUPAC Name(2R)-2-(2-methoxyanilino)-2-(4-methylphenyl)acetate
SMILESCOc1ccccc1N[C@@H](C(=O)[O-])c1ccc(C)cc1
InChIInChI=1S/C16H17NO3/c1-11-7-9-12(10-8-11)15(16(18)19)17-13-5-3-4-6-14(13)20-2/h3-10,15,17H,1-2H3,(H,18,19)/p-1/t15-/m1/s1
InChIKeyJFJDQCJOQVTAOH-OAHLLOKOSA-M
XLogP1.91
TPSA61.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.31
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-(2-methoxyanilino)-2-phenylacetate
CID 7148257
(2R)-2-(2-methoxyanilino)-2-(4-methylphenyl)acetic acid
CID 7148292
2-(4-hydroxyphenyl)-2-(2-methoxyanilino)acetic acid
CID 60993438
methyl 2-(4-chlorophenyl)-2-(2-methoxyanilino)acetate
CID 60993728
2-(4-fluorophenyl)-2-(2-methoxyanilino)acetamide
CID 60710758
ethyl 2-(2-methoxyanilino)-2-phenylacetate
CID 13004503
(2R)-2-(4-chlorophenyl)-2-(2-methoxyanilino)acetic acid
CID 7148168
(2R)-N-(2,5-dimethylphenyl)-2-(2-methoxyanilino)-2-phenylacetamide
CID 9345391
N-[cyclopropyl-(4-methylphenyl)methyl]-2-methoxyaniline
CID 43757802
(2S)-N-cyclopropyl-2-(2-methoxyanilino)-2-phenylacetamide
CID 41012863
(2R)-2-(4-chlorophenyl)-2-(2-methylanilino)acetate
CID 7148181
(2S)-2-(2-methoxyanilino)-N-(4-methyl-2-nitrophenyl)-2-phenylacetamide
CID 9345172

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-methoxyanilino)-2-(4-methylphenyl)acetate?
The IUPAC name of (2R)-2-(2-methoxyanilino)-2-(4-methylphenyl)acetate (CID 7148291) is (2R)-2-(2-methoxyanilino)-2-(4-methylphenyl)acetate.
What is the SMILES notation for (2R)-2-(2-methoxyanilino)-2-(4-methylphenyl)acetate?
The canonical SMILES for (2R)-2-(2-methoxyanilino)-2-(4-methylphenyl)acetate is COc1ccccc1N[C@@H](C(=O)[O-])c1ccc(C)cc1.
What is the InChIKey of (2R)-2-(2-methoxyanilino)-2-(4-methylphenyl)acetate?
The InChIKey is JFJDQCJOQVTAOH-OAHLLOKOSA-M. The full InChI is InChI=1S/C16H17NO3/c1-11-7-9-12(10-8-11)15(16(18)19)17-13-5-3-4-6-14(13)20-2/h3-10,15,17H,1-2H3,(H,18,19)/p-1/t15-/m1/s1.
What are the key properties of (2R)-2-(2-methoxyanilino)-2-(4-methylphenyl)acetate?
(2R)-2-(2-methoxyanilino)-2-(4-methylphenyl)acetate has a molecular weight of 270.31 g/mol, XLogP of 1.91, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2-methoxyanilino)-2-(4-methylphenyl)acetate is sourced from PubChem (CID 7148291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).