2-[2-(1-aminoethyl)phenoxy]-N-cyclohexylacetamide

C16H24N2O2 — CID 43186044

IUPAC2-[2-(1-aminoethyl)phenoxy]-N-cyclohexylacetamide
SMILESCC(N)c1ccccc1OCC(=O)NC1CCCCC1
InChIInChI=1S/C16H24N2O2/c1-12(17)14-9-5-6-10-15(14)20-11-16(19)18-13-7-3-2-4-8-13/h5-6,9-10,12-13H,2-4,7-8,11,17H2,1H3,(H,18,19)
InChIKeyBNPMPVWNXIJXHF-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.53
Rot. Bonds5

About 2-[2-(1-aminoethyl)phenoxy]-N-cyclohexylacetamide

2-[2-(1-aminoethyl)phenoxy]-N-cyclohexylacetamide (PubChem CID 43186044) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 2-[2-(1-aminoethyl)phenoxy]-N-cyclohexylacetamide.

Molecular Properties

Compound Name2-[2-(1-aminoethyl)phenoxy]-N-cyclohexylacetamide
PubChem CID43186044
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name2-[2-(1-aminoethyl)phenoxy]-N-cyclohexylacetamide
SMILESCC(N)c1ccccc1OCC(=O)NC1CCCCC1
InChIInChI=1S/C16H24N2O2/c1-12(17)14-9-5-6-10-15(14)20-11-16(19)18-13-7-3-2-4-8-13/h5-6,9-10,12-13H,2-4,7-8,11,17H2,1H3,(H,18,19)
InChIKeyBNPMPVWNXIJXHF-UHFFFAOYSA-N
XLogP2.53
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclohexyl-2-(2-propan-2-ylphenoxy)acetamide
CID 725880
N-cycloheptyl-2-[2-[(1S)-1-hydroxyethyl]phenoxy]acetamide
CID 78933846
2-[2-[(1S)-1-aminoethyl]-5-fluorophenoxy]-N-cyclopentylacetamide
CID 78935687
[2-(cycloheptylamino)-2-oxoethyl] 2-(2-propan-2-ylphenoxy)acetate
CID 7903929
N-cyclohexyl-2-(2-ethoxyphenoxy)acetamide
CID 731871
N-(cyclohexylcarbamothioyl)-2-(2-propan-2-ylphenoxy)acetamide
CID 19188194
2-[2-[(1R)-1-aminoethyl]phenoxy]-N-ethylacetamide
CID 30118137
2-(2-acetamidophenoxy)-N-cyclooctylacetamide
CID 17457791
2-[2-[(1S)-1-aminoethyl]naphthalen-1-yl]oxy-N-cyclopropylacetamide
CID 63368493
N-cycloheptyl-2-[2-(methylaminomethyl)phenoxy]acetamide
CID 62548783
2-[2-(1-aminoethyl)-5-methylphenoxy]-N-(oxan-4-yl)acetamide
CID 63639424
2-[4-(1-aminoethyl)phenoxy]-N-cyclopentylacetamide
CID 43186036

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-aminoethyl)phenoxy]-N-cyclohexylacetamide?
The IUPAC name of 2-[2-(1-aminoethyl)phenoxy]-N-cyclohexylacetamide (CID 43186044) is 2-[2-(1-aminoethyl)phenoxy]-N-cyclohexylacetamide.
What is the SMILES notation for 2-[2-(1-aminoethyl)phenoxy]-N-cyclohexylacetamide?
The canonical SMILES for 2-[2-(1-aminoethyl)phenoxy]-N-cyclohexylacetamide is CC(N)c1ccccc1OCC(=O)NC1CCCCC1.
What is the InChIKey of 2-[2-(1-aminoethyl)phenoxy]-N-cyclohexylacetamide?
The InChIKey is BNPMPVWNXIJXHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-12(17)14-9-5-6-10-15(14)20-11-16(19)18-13-7-3-2-4-8-13/h5-6,9-10,12-13H,2-4,7-8,11,17H2,1H3,(H,18,19).
What are the key properties of 2-[2-(1-aminoethyl)phenoxy]-N-cyclohexylacetamide?
2-[2-(1-aminoethyl)phenoxy]-N-cyclohexylacetamide has a molecular weight of 276.38 g/mol, XLogP of 2.53, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-aminoethyl)phenoxy]-N-cyclohexylacetamide is sourced from PubChem (CID 43186044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).