2-(4-benzoyl-2-tert-butyl-5-hydroxyphenoxy)-N,N-dimethylacetamide

C21H25NO4 — CID 139724890

IUPAC2-(4-benzoyl-2-tert-butyl-5-hydroxyphenoxy)-N,N-dimethylacetamide
SMILESCN(C)C(=O)COc1cc(O)c(C(=O)c2ccccc2)cc1C(C)(C)C
InChIInChI=1S/C21H25NO4/c1-21(2,3)16-11-15(20(25)14-9-7-6-8-10-14)17(23)12-18(16)26-13-19(24)22(4)5/h6-12,23H,13H2,1-5H3
InChIKeyKKEWDYADNKGFTB-UHFFFAOYSA-N
MW355.43 g/mol
LogP3.39
Rot. Bonds5

About 2-(4-benzoyl-2-tert-butyl-5-hydroxyphenoxy)-N,N-dimethylacetamide

2-(4-benzoyl-2-tert-butyl-5-hydroxyphenoxy)-N,N-dimethylacetamide (PubChem CID 139724890) has the molecular formula C21H25NO4 and a molecular weight of 355.43 g/mol. Its IUPAC name is 2-(4-benzoyl-2-tert-butyl-5-hydroxyphenoxy)-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-(4-benzoyl-2-tert-butyl-5-hydroxyphenoxy)-N,N-dimethylacetamide
PubChem CID139724890
Molecular FormulaC21H25NO4
Molecular Weight355.43 g/mol
Exact Mass355.18
IUPAC Name2-(4-benzoyl-2-tert-butyl-5-hydroxyphenoxy)-N,N-dimethylacetamide
SMILESCN(C)C(=O)COc1cc(O)c(C(=O)c2ccccc2)cc1C(C)(C)C
InChIInChI=1S/C21H25NO4/c1-21(2,3)16-11-15(20(25)14-9-7-6-8-10-14)17(23)12-18(16)26-13-19(24)22(4)5/h6-12,23H,13H2,1-5H3
InChIKeyKKEWDYADNKGFTB-UHFFFAOYSA-N
XLogP3.39
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.43
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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Licochalcone A
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Macarangin
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Alpinumisoflavone
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Corylin
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Warangalone
CID 5379679
Broussoflavonol F
CID 9866908
8-(1,1-Dimethylallyl)galangin
CID 5281950
2,2'-Dihydroxy-4-(octyloxy)benzophenone
CID 6801

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzoyl-2-tert-butyl-5-hydroxyphenoxy)-N,N-dimethylacetamide?
The IUPAC name of 2-(4-benzoyl-2-tert-butyl-5-hydroxyphenoxy)-N,N-dimethylacetamide (CID 139724890) is 2-(4-benzoyl-2-tert-butyl-5-hydroxyphenoxy)-N,N-dimethylacetamide.
What is the SMILES notation for 2-(4-benzoyl-2-tert-butyl-5-hydroxyphenoxy)-N,N-dimethylacetamide?
The canonical SMILES for 2-(4-benzoyl-2-tert-butyl-5-hydroxyphenoxy)-N,N-dimethylacetamide is CN(C)C(=O)COc1cc(O)c(C(=O)c2ccccc2)cc1C(C)(C)C.
What is the InChIKey of 2-(4-benzoyl-2-tert-butyl-5-hydroxyphenoxy)-N,N-dimethylacetamide?
The InChIKey is KKEWDYADNKGFTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO4/c1-21(2,3)16-11-15(20(25)14-9-7-6-8-10-14)17(23)12-18(16)26-13-19(24)22(4)5/h6-12,23H,13H2,1-5H3.
What are the key properties of 2-(4-benzoyl-2-tert-butyl-5-hydroxyphenoxy)-N,N-dimethylacetamide?
2-(4-benzoyl-2-tert-butyl-5-hydroxyphenoxy)-N,N-dimethylacetamide has a molecular weight of 355.43 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzoyl-2-tert-butyl-5-hydroxyphenoxy)-N,N-dimethylacetamide is sourced from PubChem (CID 139724890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).