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

C17H19NO3 — CID 60991897

IUPACmethyl 2-(4-methoxyanilino)-2-(4-methylphenyl)acetate
SMILESCOC(=O)C(Nc1ccc(OC)cc1)c1ccc(C)cc1
InChIInChI=1S/C17H19NO3/c1-12-4-6-13(7-5-12)16(17(19)21-3)18-14-8-10-15(20-2)11-9-14/h4-11,16,18H,1-3H3
InChIKeyZCBGNZFPLKAOGK-UHFFFAOYSA-N
MW285.34 g/mol
LogP3.33
Rot. Bonds5

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

methyl 2-(4-methoxyanilino)-2-(4-methylphenyl)acetate (PubChem CID 60991897) has the molecular formula C17H19NO3 and a molecular weight of 285.34 g/mol. Its IUPAC name is methyl 2-(4-methoxyanilino)-2-(4-methylphenyl)acetate.

Molecular Properties

Compound Namemethyl 2-(4-methoxyanilino)-2-(4-methylphenyl)acetate
PubChem CID60991897
Molecular FormulaC17H19NO3
Molecular Weight285.34 g/mol
Exact Mass285.14
IUPAC Namemethyl 2-(4-methoxyanilino)-2-(4-methylphenyl)acetate
SMILESCOC(=O)C(Nc1ccc(OC)cc1)c1ccc(C)cc1
InChIInChI=1S/C17H19NO3/c1-12-4-6-13(7-5-12)16(17(19)21-3)18-14-8-10-15(20-2)11-9-14/h4-11,16,18H,1-3H3
InChIKeyZCBGNZFPLKAOGK-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-(4-methoxyanilino)-2-(4-methylphenyl)acetate
CID 102078700
methyl 2-(4-fluorophenyl)-2-(4-methoxyanilino)acetate
CID 24814480
methyl 2-(4-fluoroanilino)-2-(4-methylphenyl)acetate
CID 60991414
methyl 2-(4-methylanilino)-2-(4-methylsulfanylphenyl)acetate
CID 60991491
ethyl (2S)-2-(4-chlorophenyl)-2-(4-methoxyanilino)acetate
CID 134946729
ethyl 2-(4-methoxyanilino)-2-phenylacetate
CID 13004504
ethyl 2-anilino-2-(4-methoxyphenyl)acetate
CID 60992586
methyl (2S)-2-[[2-(4-methoxyphenyl)acetyl]amino]-2-(4-methylphenyl)acetate
CID 95783989
methyl (2R,3S)-2-acetamido-3-(4-methoxyanilino)-3-(4-methylphenyl)propanoate
CID 102495983
tert-butyl (2R)-2-(4-fluorophenyl)-2-(4-methoxyanilino)acetate
CID 102495994
2-(4-fluorophenyl)-2-(4-methoxyanilino)acetic acid
CID 60991336
methyl 2-(4-methoxyanilino)-2-thiophen-2-ylacetate
CID 61346939

Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-methoxyanilino)-2-(4-methylphenyl)acetate?
The IUPAC name of methyl 2-(4-methoxyanilino)-2-(4-methylphenyl)acetate (CID 60991897) is methyl 2-(4-methoxyanilino)-2-(4-methylphenyl)acetate.
What is the SMILES notation for methyl 2-(4-methoxyanilino)-2-(4-methylphenyl)acetate?
The canonical SMILES for methyl 2-(4-methoxyanilino)-2-(4-methylphenyl)acetate is COC(=O)C(Nc1ccc(OC)cc1)c1ccc(C)cc1.
What is the InChIKey of methyl 2-(4-methoxyanilino)-2-(4-methylphenyl)acetate?
The InChIKey is ZCBGNZFPLKAOGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3/c1-12-4-6-13(7-5-12)16(17(19)21-3)18-14-8-10-15(20-2)11-9-14/h4-11,16,18H,1-3H3.
What are the key properties of methyl 2-(4-methoxyanilino)-2-(4-methylphenyl)acetate?
methyl 2-(4-methoxyanilino)-2-(4-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-(4-methoxyanilino)-2-(4-methylphenyl)acetate is sourced from PubChem (CID 60991897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).