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N-[3-(4-Isopropylphenyl)-2,2,4,6,7-pentamethyl-2,3-dihydro-1-benzofuran-5-yl]-N-[2-(4-methoxyphenyl)ethyl]acetamide

HCID 10185352
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Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

Standard SMILES
COc1ccc(CCN(C(C)=O)c2c(C)c(C)c3c(c2C)C(c2ccc(C(C)C)cc2)C(C)(C)O3)cc1
InChIKey
SSOKAMYKFZYBHT-UHFFFAOYSA-N
Molecular formula
C33H41NO3
Average molar mass
499.7 g/mol

Names & identifiers

Preferred name
N-[3-(4-Isopropylphenyl)-2,2,4,6,7-pentamethyl-2,3-dihydro-1-benzofuran-5-yl]-N-[2-(4-methoxyphenyl)ethyl]acetamide
IUPAC
N-[2-(4-methoxyphenyl)ethyl]-N-[2,2,4,6,7-pentamethyl-3-(4-propan-2-ylphenyl)-3H-1-benzofuran-5-yl]acetamide

Names & synonyms

SCHEMBL2907968SSOKAMYKFZYBHT-UHFFFAOYSA-NN-[3-(4-Isopropylphenyl)-2,2,4,6,7-pentamethyl-2,3-dihydro-1-benzofuran-5-yl]-N-[2-(4-methoxyphenyl)ethyl]acetamide

Database identifiers

PubChem CID
10185352

Properties

Computed structural propertiesFilling in

XLogP
7.5
Topological polar surface area
38.8 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
7
Heavy atoms
37
Formal charge
0
Complexity
749

Related reactions

4 records
New reaction record
HRID 272372 reaction equation
HRID 272372As productuspto-grants-2008_11
HRID 314817 reaction equation
HRID 314817As productTraining data from https://doi.org/10.1039/C8SC04228D (8/10)
HRID 1017882 reaction equation
HRID 1017882As productuspto-grants-2002_11
HRID 2211763 reaction equation
HRID 2211763As productuspto-grants-2006_09

Compound notes

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