N-butan-2-yl-2-[2,6-dimethyl-4-(methylaminomethyl)phenoxy]acetamide

C16H26N2O2 — CID 43276661

IUPACN-butan-2-yl-2-[2,6-dimethyl-4-(methylaminomethyl)phenoxy]acetamide
SMILESCCC(C)NC(=O)COc1c(C)cc(CNC)cc1C
InChIInChI=1S/C16H26N2O2/c1-6-13(4)18-15(19)10-20-16-11(2)7-14(9-17-5)8-12(16)3/h7-8,13,17H,6,9-10H2,1-5H3,(H,18,19)
InChIKeyORORLDBSVZNGAW-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.32
Rot. Bonds7

About N-butan-2-yl-2-[2,6-dimethyl-4-(methylaminomethyl)phenoxy]acetamide

N-butan-2-yl-2-[2,6-dimethyl-4-(methylaminomethyl)phenoxy]acetamide (PubChem CID 43276661) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is N-butan-2-yl-2-[2,6-dimethyl-4-(methylaminomethyl)phenoxy]acetamide.

Molecular Properties

Compound NameN-butan-2-yl-2-[2,6-dimethyl-4-(methylaminomethyl)phenoxy]acetamide
PubChem CID43276661
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC NameN-butan-2-yl-2-[2,6-dimethyl-4-(methylaminomethyl)phenoxy]acetamide
SMILESCCC(C)NC(=O)COc1c(C)cc(CNC)cc1C
InChIInChI=1S/C16H26N2O2/c1-6-13(4)18-15(19)10-20-16-11(2)7-14(9-17-5)8-12(16)3/h7-8,13,17H,6,9-10H2,1-5H3,(H,18,19)
InChIKeyORORLDBSVZNGAW-UHFFFAOYSA-N
XLogP2.32
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2,6-dimethyl-4-(methylaminomethyl)phenoxy]-N-pentan-3-ylacetamide
CID 61486985
2-[2,6-dimethyl-4-(methylaminomethyl)phenoxy]-N-(3-methylbutyl)acetamide
CID 61486806
2-[4-bromo-2-(hydroxymethyl)-6-methylphenoxy]-N-butan-2-ylacetamide
CID 112621010
2-(4-bromo-2-formyl-6-methylphenoxy)-N-butan-2-ylacetamide
CID 112620746
2-[4-bromo-2-methyl-6-(methylaminomethyl)phenoxy]-N-pentan-2-ylacetamide
CID 115961086
1-[3,5-dimethyl-4-(2-methylbutoxy)phenyl]-N-methylmethanamine
CID 55036950
2-[2-(butan-2-ylamino)-2-oxoethoxy]-3,5-dimethylbenzenesulfonyl chloride
CID 82911938
2-[2-bromo-6-(methylaminomethyl)phenoxy]-N-butan-2-ylacetamide
CID 61390284
1-[4-(2-ethylbutoxy)-3,5-dimethylphenyl]-N-methylmethanamine
CID 82927420
N-butan-2-yl-2-[[6-methyl-2-(methylaminomethyl)-3-pyridinyl]oxy]acetamide
CID 79151583
2-[4-(2-aminobutyl)-2,6-dimethylphenoxy]-N-methylacetamide
CID 54930344
2-(4-cyano-2,6-dimethylphenoxy)-N-(1-methoxypropan-2-yl)acetamide
CID 65472855

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-[2,6-dimethyl-4-(methylaminomethyl)phenoxy]acetamide?
The IUPAC name of N-butan-2-yl-2-[2,6-dimethyl-4-(methylaminomethyl)phenoxy]acetamide (CID 43276661) is N-butan-2-yl-2-[2,6-dimethyl-4-(methylaminomethyl)phenoxy]acetamide.
What is the SMILES notation for N-butan-2-yl-2-[2,6-dimethyl-4-(methylaminomethyl)phenoxy]acetamide?
The canonical SMILES for N-butan-2-yl-2-[2,6-dimethyl-4-(methylaminomethyl)phenoxy]acetamide is CCC(C)NC(=O)COc1c(C)cc(CNC)cc1C.
What is the InChIKey of N-butan-2-yl-2-[2,6-dimethyl-4-(methylaminomethyl)phenoxy]acetamide?
The InChIKey is ORORLDBSVZNGAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-6-13(4)18-15(19)10-20-16-11(2)7-14(9-17-5)8-12(16)3/h7-8,13,17H,6,9-10H2,1-5H3,(H,18,19).
What are the key properties of N-butan-2-yl-2-[2,6-dimethyl-4-(methylaminomethyl)phenoxy]acetamide?
N-butan-2-yl-2-[2,6-dimethyl-4-(methylaminomethyl)phenoxy]acetamide has a molecular weight of 278.40 g/mol, XLogP of 2.32, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-[2,6-dimethyl-4-(methylaminomethyl)phenoxy]acetamide is sourced from PubChem (CID 43276661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).