N-benzyl-2-(4-tert-butylphenoxy)-N-methylacetamide

C20H25NO2 — CID 710356

IUPACN-benzyl-2-(4-tert-butylphenoxy)-N-methylacetamide
SMILESCN(Cc1ccccc1)C(=O)COc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C20H25NO2/c1-20(2,3)17-10-12-18(13-11-17)23-15-19(22)21(4)14-16-8-6-5-7-9-16/h5-13H,14-15H2,1-4H3
InChIKeyCFGJXJSRSXUEHG-UHFFFAOYSA-N
MW311.42 g/mol
LogP4.02
Rot. Bonds5

About N-benzyl-2-(4-tert-butylphenoxy)-N-methylacetamide

N-benzyl-2-(4-tert-butylphenoxy)-N-methylacetamide (PubChem CID 710356) has the molecular formula C20H25NO2 and a molecular weight of 311.42 g/mol. Its IUPAC name is N-benzyl-2-(4-tert-butylphenoxy)-N-methylacetamide.

Molecular Properties

Compound NameN-benzyl-2-(4-tert-butylphenoxy)-N-methylacetamide
PubChem CID710356
Molecular FormulaC20H25NO2
Molecular Weight311.42 g/mol
Exact Mass311.19
IUPAC NameN-benzyl-2-(4-tert-butylphenoxy)-N-methylacetamide
SMILESCN(Cc1ccccc1)C(=O)COc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C20H25NO2/c1-20(2,3)17-10-12-18(13-11-17)23-15-19(22)21(4)14-16-8-6-5-7-9-16/h5-13H,14-15H2,1-4H3
InChIKeyCFGJXJSRSXUEHG-UHFFFAOYSA-N
XLogP4.02
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.42
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Benzethonium Chloride
CID 8478
Bephenium
CID 19667
Benzethonium
CID 2335
Methylbenzethonium
CID 4135
Methylbenzethonium hydroxide
CID 168497
Benzethonium chloride monohydrate
CID 21644026
N-benzyl-2-phenoxyacetamide
CID 309669
N-(4-benzyloxybenzyl)acetohydroxamic acid
CID 129265
N-(4-methoxybenzyl)-2-(4-methoxyphenoxy)acetamide
CID 748751
Benzyldimethyl(2-(2-((4-(1,1,3,3-tetramethylbutyl)-o-tolyl)oxy)ethoxy)ethyl)ammonium chloride
CID 5702238
2-(4-Methoxyphenoxy)-N-(2-phenylethyl)ethanimidic acid
CID 210238
2-(4-ethylphenoxy)-N-(2-phenylethyl)acetamide
CID 673837

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(4-tert-butylphenoxy)-N-methylacetamide?
The IUPAC name of N-benzyl-2-(4-tert-butylphenoxy)-N-methylacetamide (CID 710356) is N-benzyl-2-(4-tert-butylphenoxy)-N-methylacetamide.
What is the SMILES notation for N-benzyl-2-(4-tert-butylphenoxy)-N-methylacetamide?
The canonical SMILES for N-benzyl-2-(4-tert-butylphenoxy)-N-methylacetamide is CN(Cc1ccccc1)C(=O)COc1ccc(C(C)(C)C)cc1.
What is the InChIKey of N-benzyl-2-(4-tert-butylphenoxy)-N-methylacetamide?
The InChIKey is CFGJXJSRSXUEHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO2/c1-20(2,3)17-10-12-18(13-11-17)23-15-19(22)21(4)14-16-8-6-5-7-9-16/h5-13H,14-15H2,1-4H3.
What are the key properties of N-benzyl-2-(4-tert-butylphenoxy)-N-methylacetamide?
N-benzyl-2-(4-tert-butylphenoxy)-N-methylacetamide has a molecular weight of 311.42 g/mol, XLogP of 4.02, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(4-tert-butylphenoxy)-N-methylacetamide is sourced from PubChem (CID 710356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).