2-[2-(1-aminoethyl)-5-methylphenoxy]-N-(oxan-4-yl)acetamide

C16H24N2O3 — CID 63639424

IUPAC2-[2-(1-aminoethyl)-5-methylphenoxy]-N-(oxan-4-yl)acetamide
SMILESCc1ccc(C(C)N)c(OCC(=O)NC2CCOCC2)c1
InChIInChI=1S/C16H24N2O3/c1-11-3-4-14(12(2)17)15(9-11)21-10-16(19)18-13-5-7-20-8-6-13/h3-4,9,12-13H,5-8,10,17H2,1-2H3,(H,18,19)
InChIKeyWKTPXNHYYQYGLF-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.69
Rot. Bonds5

About 2-[2-(1-aminoethyl)-5-methylphenoxy]-N-(oxan-4-yl)acetamide

2-[2-(1-aminoethyl)-5-methylphenoxy]-N-(oxan-4-yl)acetamide (PubChem CID 63639424) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 2-[2-(1-aminoethyl)-5-methylphenoxy]-N-(oxan-4-yl)acetamide.

Molecular Properties

Compound Name2-[2-(1-aminoethyl)-5-methylphenoxy]-N-(oxan-4-yl)acetamide
PubChem CID63639424
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name2-[2-(1-aminoethyl)-5-methylphenoxy]-N-(oxan-4-yl)acetamide
SMILESCc1ccc(C(C)N)c(OCC(=O)NC2CCOCC2)c1
InChIInChI=1S/C16H24N2O3/c1-11-3-4-14(12(2)17)15(9-11)21-10-16(19)18-13-5-7-20-8-6-13/h3-4,9,12-13H,5-8,10,17H2,1-2H3,(H,18,19)
InChIKeyWKTPXNHYYQYGLF-UHFFFAOYSA-N
XLogP1.69
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[(1R)-1-hydroxyethyl]-4-methylphenoxy]-N-(oxan-4-yl)acetamide
CID 63366534
N-cyclohexyl-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 94840112
2-[2-[(1S)-1-aminoethyl]-5-fluorophenoxy]-N-cyclopentylacetamide
CID 78935687
2-[2-[(1S)-1-aminoethyl]-5-methylphenoxy]-N-(2-methylpropyl)acetamide
CID 78947098
2-[2-(hydroxymethyl)-4-methylphenoxy]-N-(oxan-4-yl)acetamide
CID 63325624
N-cyclopropyl-2-[5-methyl-2-[1-(methylamino)ethyl]phenoxy]acetamide
CID 63639605
N-(4-hydroxycyclohexyl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 78767495
2-[2-[(1R)-1-aminoethyl]-5-methylphenoxy]-N-carbamoylacetamide
CID 63650860
2-[2-(1-aminoethyl)phenoxy]-N-cyclohexylacetamide
CID 43186044
1-cyclohexyl-3-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]thiourea
CID 1181912
2-[2-(2-aminopropyl)-4-methylphenoxy]-N-cyclopropylacetamide
CID 63326335
2-[2-[(1S)-1-aminoethyl]-5-methylphenoxy]-N-pentan-3-ylacetamide
CID 63649947

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-aminoethyl)-5-methylphenoxy]-N-(oxan-4-yl)acetamide?
The IUPAC name of 2-[2-(1-aminoethyl)-5-methylphenoxy]-N-(oxan-4-yl)acetamide (CID 63639424) is 2-[2-(1-aminoethyl)-5-methylphenoxy]-N-(oxan-4-yl)acetamide.
What is the SMILES notation for 2-[2-(1-aminoethyl)-5-methylphenoxy]-N-(oxan-4-yl)acetamide?
The canonical SMILES for 2-[2-(1-aminoethyl)-5-methylphenoxy]-N-(oxan-4-yl)acetamide is Cc1ccc(C(C)N)c(OCC(=O)NC2CCOCC2)c1.
What is the InChIKey of 2-[2-(1-aminoethyl)-5-methylphenoxy]-N-(oxan-4-yl)acetamide?
The InChIKey is WKTPXNHYYQYGLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-11-3-4-14(12(2)17)15(9-11)21-10-16(19)18-13-5-7-20-8-6-13/h3-4,9,12-13H,5-8,10,17H2,1-2H3,(H,18,19).
What are the key properties of 2-[2-(1-aminoethyl)-5-methylphenoxy]-N-(oxan-4-yl)acetamide?
2-[2-(1-aminoethyl)-5-methylphenoxy]-N-(oxan-4-yl)acetamide has a molecular weight of 292.38 g/mol, XLogP of 1.69, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-aminoethyl)-5-methylphenoxy]-N-(oxan-4-yl)acetamide is sourced from PubChem (CID 63639424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).