2-[2-(2-aminobutyl)-6-methylphenoxy]-N-cyclopropylacetamide

C16H24N2O2 — CID 115958175

IUPAC2-[2-(2-aminobutyl)-6-methylphenoxy]-N-cyclopropylacetamide
SMILESCCC(N)Cc1cccc(C)c1OCC(=O)NC1CC1
InChIInChI=1S/C16H24N2O2/c1-3-13(17)9-12-6-4-5-11(2)16(12)20-10-15(19)18-14-7-8-14/h4-6,13-14H,3,7-10,17H2,1-2H3,(H,18,19)
InChIKeyOSAGPIAOZNZUGW-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.93
Rot. Bonds7

About 2-[2-(2-aminobutyl)-6-methylphenoxy]-N-cyclopropylacetamide

2-[2-(2-aminobutyl)-6-methylphenoxy]-N-cyclopropylacetamide (PubChem CID 115958175) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 2-[2-(2-aminobutyl)-6-methylphenoxy]-N-cyclopropylacetamide.

Molecular Properties

Compound Name2-[2-(2-aminobutyl)-6-methylphenoxy]-N-cyclopropylacetamide
PubChem CID115958175
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name2-[2-(2-aminobutyl)-6-methylphenoxy]-N-cyclopropylacetamide
SMILESCCC(N)Cc1cccc(C)c1OCC(=O)NC1CC1
InChIInChI=1S/C16H24N2O2/c1-3-13(17)9-12-6-4-5-11(2)16(12)20-10-15(19)18-14-7-8-14/h4-6,13-14H,3,7-10,17H2,1-2H3,(H,18,19)
InChIKeyOSAGPIAOZNZUGW-UHFFFAOYSA-N
XLogP1.93
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(2-aminopropyl)-6-methylphenoxy]-N-cyclopentylacetamide
CID 115958124
2-[2-(2-aminobutyl)-6-methylphenoxy]-N-cyclopropylpropanamide
CID 115958256
2-[2-(aminomethyl)-6-methylphenoxy]-N-cyclopentylacetamide
CID 112607289
2-[2-(2-aminobutyl)-6-methylphenoxy]-N-(2-cyanoethyl)acetamide
CID 115958200
2-[2-(2-aminobutyl)-6-chlorophenoxy]-N-cyclopropylpropanamide
CID 115958552
2-[2-(2-aminobutyl)-6-bromophenoxy]-N-cyclopropylpropanamide
CID 61392465
2-[2-(2-aminobutyl)-4-fluorophenoxy]-N-cyclopropylacetamide
CID 107701396
2-[4-(2-aminobutyl)-2-methoxyphenoxy]-N-cyclopropylacetamide
CID 60908010
2-[2-(2-aminobutyl)phenoxy]-N-cyclopropylpropanamide
CID 60907329
tert-butyl 4-[[2-(2,6-dimethylphenoxy)acetyl]amino]piperidine-1-carboxylate
CID 55986374
1-[2-(2-ethylbutoxy)-3-methylphenyl]butan-2-amine
CID 112615535
2-[4-[[2-(2,6-dimethylphenoxy)acetyl]amino]piperidin-1-yl]acetamide
CID 134047526

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-aminobutyl)-6-methylphenoxy]-N-cyclopropylacetamide?
The IUPAC name of 2-[2-(2-aminobutyl)-6-methylphenoxy]-N-cyclopropylacetamide (CID 115958175) is 2-[2-(2-aminobutyl)-6-methylphenoxy]-N-cyclopropylacetamide.
What is the SMILES notation for 2-[2-(2-aminobutyl)-6-methylphenoxy]-N-cyclopropylacetamide?
The canonical SMILES for 2-[2-(2-aminobutyl)-6-methylphenoxy]-N-cyclopropylacetamide is CCC(N)Cc1cccc(C)c1OCC(=O)NC1CC1.
What is the InChIKey of 2-[2-(2-aminobutyl)-6-methylphenoxy]-N-cyclopropylacetamide?
The InChIKey is OSAGPIAOZNZUGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-3-13(17)9-12-6-4-5-11(2)16(12)20-10-15(19)18-14-7-8-14/h4-6,13-14H,3,7-10,17H2,1-2H3,(H,18,19).
What are the key properties of 2-[2-(2-aminobutyl)-6-methylphenoxy]-N-cyclopropylacetamide?
2-[2-(2-aminobutyl)-6-methylphenoxy]-N-cyclopropylacetamide has a molecular weight of 276.38 g/mol, XLogP of 1.93, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-aminobutyl)-6-methylphenoxy]-N-cyclopropylacetamide is sourced from PubChem (CID 115958175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).