2-[2,6-dimethyl-4-(methylaminomethyl)phenoxy]-N-pentan-3-ylacetamide

C17H28N2O2 — CID 61486985

IUPAC2-[2,6-dimethyl-4-(methylaminomethyl)phenoxy]-N-pentan-3-ylacetamide
SMILESCCC(CC)NC(=O)COc1c(C)cc(CNC)cc1C
InChIInChI=1S/C17H28N2O2/c1-6-15(7-2)19-16(20)11-21-17-12(3)8-14(10-18-5)9-13(17)4/h8-9,15,18H,6-7,10-11H2,1-5H3,(H,19,20)
InChIKeyBJWFMLBAOOKBBO-UHFFFAOYSA-N
MW292.42 g/mol
LogP2.71
Rot. Bonds8

About 2-[2,6-dimethyl-4-(methylaminomethyl)phenoxy]-N-pentan-3-ylacetamide

2-[2,6-dimethyl-4-(methylaminomethyl)phenoxy]-N-pentan-3-ylacetamide (PubChem CID 61486985) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is 2-[2,6-dimethyl-4-(methylaminomethyl)phenoxy]-N-pentan-3-ylacetamide.

Molecular Properties

Compound Name2-[2,6-dimethyl-4-(methylaminomethyl)phenoxy]-N-pentan-3-ylacetamide
PubChem CID61486985
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name2-[2,6-dimethyl-4-(methylaminomethyl)phenoxy]-N-pentan-3-ylacetamide
SMILESCCC(CC)NC(=O)COc1c(C)cc(CNC)cc1C
InChIInChI=1S/C17H28N2O2/c1-6-15(7-2)19-16(20)11-21-17-12(3)8-14(10-18-5)9-13(17)4/h8-9,15,18H,6-7,10-11H2,1-5H3,(H,19,20)
InChIKeyBJWFMLBAOOKBBO-UHFFFAOYSA-N
XLogP2.71
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
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-butan-2-yl-2-[2,6-dimethyl-4-(methylaminomethyl)phenoxy]acetamide
CID 43276661
2-[4-(methylaminomethyl)phenoxy]-N-pentan-3-ylacetamide
CID 61486986
2-[2,6-dimethyl-4-(methylaminomethyl)phenoxy]-N-(3-methylbutyl)acetamide
CID 61486806
2-[2,4-dichloro-6-(methylaminomethyl)phenoxy]-N-pentan-3-ylacetamide
CID 61486830
2-[4-bromo-2-(hydroxymethyl)-6-methylphenoxy]-N-pentan-3-ylacetamide
CID 115962242
1-[4-(2-ethylbutoxy)-3,5-dimethylphenyl]-N-methylmethanamine
CID 82927420
1-[3,5-dimethyl-4-(2-methylbutoxy)phenyl]-N-methylmethanamine
CID 55036950
4-methyl-3-[2-oxo-2-(pentan-3-ylamino)ethoxy]benzoic acid
CID 45311911
2-(5-amino-2-methylphenoxy)-N-pentan-3-ylacetamide
CID 54957007
2-[4-(2-aminobutyl)-2,6-dimethylphenoxy]-N-methylacetamide
CID 54930344
2-[2-(2-aminoethyl)-4-bromo-6-methylphenoxy]-N-pentan-3-ylacetamide
CID 115962726
2-[4-(ethylaminomethyl)-2,6-dimethylphenoxy]acetamide
CID 43276717

Frequently Asked Questions

What is the IUPAC name of 2-[2,6-dimethyl-4-(methylaminomethyl)phenoxy]-N-pentan-3-ylacetamide?
The IUPAC name of 2-[2,6-dimethyl-4-(methylaminomethyl)phenoxy]-N-pentan-3-ylacetamide (CID 61486985) is 2-[2,6-dimethyl-4-(methylaminomethyl)phenoxy]-N-pentan-3-ylacetamide.
What is the SMILES notation for 2-[2,6-dimethyl-4-(methylaminomethyl)phenoxy]-N-pentan-3-ylacetamide?
The canonical SMILES for 2-[2,6-dimethyl-4-(methylaminomethyl)phenoxy]-N-pentan-3-ylacetamide is CCC(CC)NC(=O)COc1c(C)cc(CNC)cc1C.
What is the InChIKey of 2-[2,6-dimethyl-4-(methylaminomethyl)phenoxy]-N-pentan-3-ylacetamide?
The InChIKey is BJWFMLBAOOKBBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-6-15(7-2)19-16(20)11-21-17-12(3)8-14(10-18-5)9-13(17)4/h8-9,15,18H,6-7,10-11H2,1-5H3,(H,19,20).
What are the key properties of 2-[2,6-dimethyl-4-(methylaminomethyl)phenoxy]-N-pentan-3-ylacetamide?
2-[2,6-dimethyl-4-(methylaminomethyl)phenoxy]-N-pentan-3-ylacetamide has a molecular weight of 292.42 g/mol, XLogP of 2.71, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,6-dimethyl-4-(methylaminomethyl)phenoxy]-N-pentan-3-ylacetamide is sourced from PubChem (CID 61486985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).