methyl 2-[4-(4-methoxyanilino)phenyl]acetate

C16H17NO3 — CID 82535736

IUPACmethyl 2-[4-(4-methoxyanilino)phenyl]acetate
SMILESCOC(=O)Cc1ccc(Nc2ccc(OC)cc2)cc1
InChIInChI=1S/C16H17NO3/c1-19-15-9-7-14(8-10-15)17-13-5-3-12(4-6-13)11-16(18)20-2/h3-10,17H,11H2,1-2H3
InChIKeyITFZMDIXOXCVDH-UHFFFAOYSA-N
MW271.32 g/mol
LogP3.15
Rot. Bonds5

About methyl 2-[4-(4-methoxyanilino)phenyl]acetate

methyl 2-[4-(4-methoxyanilino)phenyl]acetate (PubChem CID 82535736) has the molecular formula C16H17NO3 and a molecular weight of 271.32 g/mol. Its IUPAC name is methyl 2-[4-(4-methoxyanilino)phenyl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-(4-methoxyanilino)phenyl]acetate
PubChem CID82535736
Molecular FormulaC16H17NO3
Molecular Weight271.32 g/mol
Exact Mass271.12
IUPAC Namemethyl 2-[4-(4-methoxyanilino)phenyl]acetate
SMILESCOC(=O)Cc1ccc(Nc2ccc(OC)cc2)cc1
InChIInChI=1S/C16H17NO3/c1-19-15-9-7-14(8-10-15)17-13-5-3-12(4-6-13)11-16(18)20-2/h3-10,17H,11H2,1-2H3
InChIKeyITFZMDIXOXCVDH-UHFFFAOYSA-N
XLogP3.15
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methoxyphenyl)-N-(4-methylphenyl)acetamide;methyl 2-(4-methoxyphenyl)acetate
CID 161099806
(4-methoxyphenyl) 2-(4-methoxyphenyl)acetate
CID 914131
methyl 2-[[2-(4-methoxyphenyl)acetyl]amino]acetate
CID 3423294
3-[2-(4-methoxyphenyl)acetyl]oxypropyl 2-(4-methoxyphenyl)acetate
CID 55393887
(3,5-dimethoxyphenyl) 2-(4-methoxyphenyl)acetate
CID 8753262
N-[4-(3-chloroanilino)phenyl]-2-(4-methoxyphenyl)acetamide
CID 112986980
prop-1-en-2-yl 2-(4-methoxyphenyl)acetate
CID 89069215
methyl 2-[4-(cyanomethylamino)phenyl]acetate
CID 121256144
[(2S)-1-(4-methoxyanilino)-1-oxopropan-2-yl] 2-(4-acetamidophenyl)acetate
CID 9060989
2-(4-hydroxyphenyl)-N'-(4-methoxyphenyl)acetohydrazide
CID 86181946
N-[2-(4-methoxyanilino)-2-oxoethyl]-2-(4-methoxyphenyl)acetamide
CID 112998708
dimethyl (2R)-2-[2-(4-methoxyphenyl)acetyl]oxybutanedioate
CID 100930042

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-(4-methoxyanilino)phenyl]acetate?
The IUPAC name of methyl 2-[4-(4-methoxyanilino)phenyl]acetate (CID 82535736) is methyl 2-[4-(4-methoxyanilino)phenyl]acetate.
What is the SMILES notation for methyl 2-[4-(4-methoxyanilino)phenyl]acetate?
The canonical SMILES for methyl 2-[4-(4-methoxyanilino)phenyl]acetate is COC(=O)Cc1ccc(Nc2ccc(OC)cc2)cc1.
What is the InChIKey of methyl 2-[4-(4-methoxyanilino)phenyl]acetate?
The InChIKey is ITFZMDIXOXCVDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3/c1-19-15-9-7-14(8-10-15)17-13-5-3-12(4-6-13)11-16(18)20-2/h3-10,17H,11H2,1-2H3.
What are the key properties of methyl 2-[4-(4-methoxyanilino)phenyl]acetate?
methyl 2-[4-(4-methoxyanilino)phenyl]acetate has a molecular weight of 271.32 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-(4-methoxyanilino)phenyl]acetate is sourced from PubChem (CID 82535736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).