N-tert-butyl-2-[4-(ethylaminomethyl)-2,6-dimethylphenoxy]acetamide

C17H28N2O2 — CID 43276736

IUPACN-tert-butyl-2-[4-(ethylaminomethyl)-2,6-dimethylphenoxy]acetamide
SMILESCCNCc1cc(C)c(OCC(=O)NC(C)(C)C)c(C)c1
InChIInChI=1S/C17H28N2O2/c1-7-18-10-14-8-12(2)16(13(3)9-14)21-11-15(20)19-17(4,5)6/h8-9,18H,7,10-11H2,1-6H3,(H,19,20)
InChIKeyUAGVKIVVCYFHDL-UHFFFAOYSA-N
MW292.42 g/mol
LogP2.71
Rot. Bonds6

About N-tert-butyl-2-[4-(ethylaminomethyl)-2,6-dimethylphenoxy]acetamide

N-tert-butyl-2-[4-(ethylaminomethyl)-2,6-dimethylphenoxy]acetamide (PubChem CID 43276736) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is N-tert-butyl-2-[4-(ethylaminomethyl)-2,6-dimethylphenoxy]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[4-(ethylaminomethyl)-2,6-dimethylphenoxy]acetamide
PubChem CID43276736
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC NameN-tert-butyl-2-[4-(ethylaminomethyl)-2,6-dimethylphenoxy]acetamide
SMILESCCNCc1cc(C)c(OCC(=O)NC(C)(C)C)c(C)c1
InChIInChI=1S/C17H28N2O2/c1-7-18-10-14-8-12(2)16(13(3)9-14)21-11-15(20)19-17(4,5)6/h8-9,18H,7,10-11H2,1-6H3,(H,19,20)
InChIKeyUAGVKIVVCYFHDL-UHFFFAOYSA-N
XLogP2.71
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-tert-butyl-2-(4-formyl-2,6-dimethylphenoxy)acetamide
CID 7696240
2-[4-(ethylaminomethyl)-2,6-dimethylphenoxy]acetamide
CID 43276717
2-[4-(hydroxymethyl)-2,6-dimethylphenoxy]-N-(2-methylbutan-2-yl)acetamide
CID 61486138
3-[4-(ethylaminomethyl)-2,6-dimethylphenoxy]-N-methylpropanamide
CID 62326548
N-tert-butyl-2-[4-[[3-(ethylamino)propylamino]methyl]phenoxy]acetamide
CID 17215562
N-tert-butyl-2-[2-chloro-6-(ethylaminomethyl)phenoxy]acetamide
CID 115953044
N-tert-butyl-2-[4-[[3-(ethylamino)propylamino]methyl]phenoxy]acetamide;dihydrochloride
CID 17215561
2-[2-(tert-butylamino)-2-oxoethoxy]-3,5-dimethylbenzenesulfonyl chloride
CID 82911939
N-cyclopropyl-2-[2,6-dimethyl-4-(propylaminomethyl)phenoxy]acetamide
CID 43276771
N-(1-hydroxy-2-methylpropan-2-yl)-2-(2,4,6-trimethylphenoxy)acetamide
CID 43390532
N-tert-butyl-2-[4-(butylaminomethyl)-2-chloro-6-ethoxyphenoxy]acetamide;hydrochloride
CID 2951353
N-[[3,5-dimethyl-4-(2-methylsulfonylethoxy)phenyl]methyl]ethanamine
CID 54936905

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[4-(ethylaminomethyl)-2,6-dimethylphenoxy]acetamide?
The IUPAC name of N-tert-butyl-2-[4-(ethylaminomethyl)-2,6-dimethylphenoxy]acetamide (CID 43276736) is N-tert-butyl-2-[4-(ethylaminomethyl)-2,6-dimethylphenoxy]acetamide.
What is the SMILES notation for N-tert-butyl-2-[4-(ethylaminomethyl)-2,6-dimethylphenoxy]acetamide?
The canonical SMILES for N-tert-butyl-2-[4-(ethylaminomethyl)-2,6-dimethylphenoxy]acetamide is CCNCc1cc(C)c(OCC(=O)NC(C)(C)C)c(C)c1.
What is the InChIKey of N-tert-butyl-2-[4-(ethylaminomethyl)-2,6-dimethylphenoxy]acetamide?
The InChIKey is UAGVKIVVCYFHDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-7-18-10-14-8-12(2)16(13(3)9-14)21-11-15(20)19-17(4,5)6/h8-9,18H,7,10-11H2,1-6H3,(H,19,20).
What are the key properties of N-tert-butyl-2-[4-(ethylaminomethyl)-2,6-dimethylphenoxy]acetamide?
N-tert-butyl-2-[4-(ethylaminomethyl)-2,6-dimethylphenoxy]acetamide has a molecular weight of 292.42 g/mol, XLogP of 2.71, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[4-(ethylaminomethyl)-2,6-dimethylphenoxy]acetamide is sourced from PubChem (CID 43276736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).