N-tert-butyl-2-[2-chloro-6-(ethylaminomethyl)phenoxy]acetamide

C15H23ClN2O2 — CID 115953044

IUPACN-tert-butyl-2-[2-chloro-6-(ethylaminomethyl)phenoxy]acetamide
SMILESCCNCc1cccc(Cl)c1OCC(=O)NC(C)(C)C
InChIInChI=1S/C15H23ClN2O2/c1-5-17-9-11-7-6-8-12(16)14(11)20-10-13(19)18-15(2,3)4/h6-8,17H,5,9-10H2,1-4H3,(H,18,19)
InChIKeyCPMOIJSCZBDYLC-UHFFFAOYSA-N
MW298.81 g/mol
LogP2.74
Rot. Bonds6

About N-tert-butyl-2-[2-chloro-6-(ethylaminomethyl)phenoxy]acetamide

N-tert-butyl-2-[2-chloro-6-(ethylaminomethyl)phenoxy]acetamide (PubChem CID 115953044) has the molecular formula C15H23ClN2O2 and a molecular weight of 298.81 g/mol. Its IUPAC name is N-tert-butyl-2-[2-chloro-6-(ethylaminomethyl)phenoxy]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[2-chloro-6-(ethylaminomethyl)phenoxy]acetamide
PubChem CID115953044
Molecular FormulaC15H23ClN2O2
Molecular Weight298.81 g/mol
Exact Mass298.14
IUPAC NameN-tert-butyl-2-[2-chloro-6-(ethylaminomethyl)phenoxy]acetamide
SMILESCCNCc1cccc(Cl)c1OCC(=O)NC(C)(C)C
InChIInChI=1S/C15H23ClN2O2/c1-5-17-9-11-7-6-8-12(16)14(11)20-10-13(19)18-15(2,3)4/h6-8,17H,5,9-10H2,1-4H3,(H,18,19)
InChIKeyCPMOIJSCZBDYLC-UHFFFAOYSA-N
XLogP2.74
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.81
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-chloro-6-(ethylaminomethyl)phenoxy]-N-cyclopentylacetamide
CID 115952913
2-[2-chloro-6-(ethylaminomethyl)phenoxy]-N-prop-2-enylacetamide
CID 112609262
2-[2-(ethylaminomethyl)-6-fluorophenoxy]-N-(2-methylbutan-2-yl)acetamide
CID 115953315
2-[2-chloro-6-[(2-methoxyethylamino)methyl]phenoxy]-N-ethylacetamide
CID 115954882
N-tert-butyl-2-[2-(butylaminomethyl)-6-methoxyphenoxy]acetamide
CID 6472728
2-[2-chloro-6-[(2-methylpropylamino)methyl]phenoxy]-N-methylacetamide
CID 112610545
2-[2-(ethylaminomethyl)-6-fluorophenoxy]-N-methylacetamide
CID 112609657
N-tert-butyl-2-[2-methoxy-6-[(prop-2-enylamino)methyl]phenoxy]acetamide
CID 6471852
2-[2-(2-aminoethyl)-6-chlorophenoxy]-N-ethylacetamide
CID 112615081
N-tert-butyl-2-[4-(ethylaminomethyl)-2,6-dimethylphenoxy]acetamide
CID 43276736
N-[[3-chloro-2-[(2-methylphenyl)methoxy]phenyl]methyl]ethanamine
CID 115952978
2-[2-chloro-6-(methylaminomethyl)phenoxy]-N-propan-2-ylacetamide
CID 112608605

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[2-chloro-6-(ethylaminomethyl)phenoxy]acetamide?
The IUPAC name of N-tert-butyl-2-[2-chloro-6-(ethylaminomethyl)phenoxy]acetamide (CID 115953044) is N-tert-butyl-2-[2-chloro-6-(ethylaminomethyl)phenoxy]acetamide.
What is the SMILES notation for N-tert-butyl-2-[2-chloro-6-(ethylaminomethyl)phenoxy]acetamide?
The canonical SMILES for N-tert-butyl-2-[2-chloro-6-(ethylaminomethyl)phenoxy]acetamide is CCNCc1cccc(Cl)c1OCC(=O)NC(C)(C)C.
What is the InChIKey of N-tert-butyl-2-[2-chloro-6-(ethylaminomethyl)phenoxy]acetamide?
The InChIKey is CPMOIJSCZBDYLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O2/c1-5-17-9-11-7-6-8-12(16)14(11)20-10-13(19)18-15(2,3)4/h6-8,17H,5,9-10H2,1-4H3,(H,18,19).
What are the key properties of N-tert-butyl-2-[2-chloro-6-(ethylaminomethyl)phenoxy]acetamide?
N-tert-butyl-2-[2-chloro-6-(ethylaminomethyl)phenoxy]acetamide has a molecular weight of 298.81 g/mol, XLogP of 2.74, 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-[2-chloro-6-(ethylaminomethyl)phenoxy]acetamide is sourced from PubChem (CID 115953044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).