2-[2-(2-aminobutyl)-4-methylphenoxy]-N-butylacetamide

C17H28N2O2 — CID 63326256

IUPAC2-[2-(2-aminobutyl)-4-methylphenoxy]-N-butylacetamide
SMILESCCCCNC(=O)COc1ccc(C)cc1CC(N)CC
InChIInChI=1S/C17H28N2O2/c1-4-6-9-19-17(20)12-21-16-8-7-13(3)10-14(16)11-15(18)5-2/h7-8,10,15H,4-6,9,11-12,18H2,1-3H3,(H,19,20)
InChIKeySKIGONHDXZKQBJ-UHFFFAOYSA-N
MW292.42 g/mol
LogP2.57
Rot. Bonds9

About 2-[2-(2-aminobutyl)-4-methylphenoxy]-N-butylacetamide

2-[2-(2-aminobutyl)-4-methylphenoxy]-N-butylacetamide (PubChem CID 63326256) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is 2-[2-(2-aminobutyl)-4-methylphenoxy]-N-butylacetamide.

Molecular Properties

Compound Name2-[2-(2-aminobutyl)-4-methylphenoxy]-N-butylacetamide
PubChem CID63326256
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name2-[2-(2-aminobutyl)-4-methylphenoxy]-N-butylacetamide
SMILESCCCCNC(=O)COc1ccc(C)cc1CC(N)CC
InChIInChI=1S/C17H28N2O2/c1-4-6-9-19-17(20)12-21-16-8-7-13(3)10-14(16)11-15(18)5-2/h7-8,10,15H,4-6,9,11-12,18H2,1-3H3,(H,19,20)
InChIKeySKIGONHDXZKQBJ-UHFFFAOYSA-N
XLogP2.57
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[2-(2-aminopropyl)-4-methylphenoxy]-N-butylacetamide
CID 63326072
2-[2-[(1R)-1-aminoethyl]-4-methylphenoxy]-N-butylacetamide
CID 55190440
N-butyl-2-(2,4-dimethylphenoxy)acetamide
CID 17142931
2-[2-(2-aminopropyl)-4-fluorophenoxy]-N-butylacetamide
CID 107700905
2-[2-(aminomethyl)-4-methylphenoxy]-N-propylacetamide
CID 63322563
methyl 3-[2-(2-aminobutyl)-4-methylphenoxy]-2,2-dimethylpropanoate
CID 79621644
2-[4-(2-aminobutyl)phenoxy]-N-butylacetamide
CID 61485616
2-[2-(2-aminobutyl)-3-chlorophenoxy]-N-butylacetamide
CID 114322009
2-(2,5-dimethylphenoxy)-N-heptylacetamide
CID 3468528
ethyl 2-[2-(2-aminobutyl)-4-methylphenoxy]butanoate
CID 64663407
ethyl 2-[2-(2-aminobutyl)-4-methylphenoxy]propanoate
CID 63326295
2-[2-(aminomethyl)-4-chlorophenoxy]-N-butylacetamide
CID 54956381

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-aminobutyl)-4-methylphenoxy]-N-butylacetamide?
The IUPAC name of 2-[2-(2-aminobutyl)-4-methylphenoxy]-N-butylacetamide (CID 63326256) is 2-[2-(2-aminobutyl)-4-methylphenoxy]-N-butylacetamide.
What is the SMILES notation for 2-[2-(2-aminobutyl)-4-methylphenoxy]-N-butylacetamide?
The canonical SMILES for 2-[2-(2-aminobutyl)-4-methylphenoxy]-N-butylacetamide is CCCCNC(=O)COc1ccc(C)cc1CC(N)CC.
What is the InChIKey of 2-[2-(2-aminobutyl)-4-methylphenoxy]-N-butylacetamide?
The InChIKey is SKIGONHDXZKQBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-4-6-9-19-17(20)12-21-16-8-7-13(3)10-14(16)11-15(18)5-2/h7-8,10,15H,4-6,9,11-12,18H2,1-3H3,(H,19,20).
What are the key properties of 2-[2-(2-aminobutyl)-4-methylphenoxy]-N-butylacetamide?
2-[2-(2-aminobutyl)-4-methylphenoxy]-N-butylacetamide has a molecular weight of 292.42 g/mol, XLogP of 2.57, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-aminobutyl)-4-methylphenoxy]-N-butylacetamide is sourced from PubChem (CID 63326256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).