2-(2-aminophenoxy)-N-(4-propan-2-yloxybutyl)acetamide

C15H24N2O3 — CID 106006099

IUPAC2-(2-aminophenoxy)-N-(4-propan-2-yloxybutyl)acetamide
SMILESCC(C)OCCCCNC(=O)COc1ccccc1N
InChIInChI=1S/C15H24N2O3/c1-12(2)19-10-6-5-9-17-15(18)11-20-14-8-4-3-7-13(14)16/h3-4,7-8,12H,5-6,9-11,16H2,1-2H3,(H,17,18)
InChIKeyKALBHJIMKCWSSX-UHFFFAOYSA-N
MW280.37 g/mol
LogP1.97
Rot. Bonds9

About 2-(2-aminophenoxy)-N-(4-propan-2-yloxybutyl)acetamide

2-(2-aminophenoxy)-N-(4-propan-2-yloxybutyl)acetamide (PubChem CID 106006099) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is 2-(2-aminophenoxy)-N-(4-propan-2-yloxybutyl)acetamide.

Molecular Properties

Compound Name2-(2-aminophenoxy)-N-(4-propan-2-yloxybutyl)acetamide
PubChem CID106006099
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Name2-(2-aminophenoxy)-N-(4-propan-2-yloxybutyl)acetamide
SMILESCC(C)OCCCCNC(=O)COc1ccccc1N
InChIInChI=1S/C15H24N2O3/c1-12(2)19-10-6-5-9-17-15(18)11-20-14-8-4-3-7-13(14)16/h3-4,7-8,12H,5-6,9-11,16H2,1-2H3,(H,17,18)
InChIKeyKALBHJIMKCWSSX-UHFFFAOYSA-N
XLogP1.97
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-iodophenoxy)-N-(3-propan-2-yloxypropyl)acetamide
CID 55685058
4-[[2-(2-aminophenoxy)acetyl]amino]butanamide
CID 60865173
2-(2-butan-2-ylphenoxy)-N-(3-propan-2-yloxypropyl)acetamide
CID 86907773
3-(2-aminophenyl)-N-(3-propan-2-yloxypropyl)propanamide
CID 107272988
2-(2-aminophenoxy)-N-pent-4-ynylacetamide
CID 106219762
2-(2-aminophenoxy)-N-ethylacetamide
CID 16776803
2-amino-6-ethoxy-N-(4-propan-2-yloxybutyl)benzamide
CID 106006138
3-(2-aminophenoxy)-N-pentylpropanamide
CID 61090081
2-(2-aminophenoxy)-N-(2-methylbutyl)acetamide
CID 55108500
2-(2-propan-2-ylphenoxy)-N-[8-[[2-(2-propan-2-ylphenoxy)acetyl]amino]octyl]acetamide
CID 17233327
2-amino-N-(3-propan-2-yloxypropyl)benzamide
CID 61249223
4-amino-4-phenyl-N-(4-propan-2-yloxybutyl)butanamide
CID 106011430

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminophenoxy)-N-(4-propan-2-yloxybutyl)acetamide?
The IUPAC name of 2-(2-aminophenoxy)-N-(4-propan-2-yloxybutyl)acetamide (CID 106006099) is 2-(2-aminophenoxy)-N-(4-propan-2-yloxybutyl)acetamide.
What is the SMILES notation for 2-(2-aminophenoxy)-N-(4-propan-2-yloxybutyl)acetamide?
The canonical SMILES for 2-(2-aminophenoxy)-N-(4-propan-2-yloxybutyl)acetamide is CC(C)OCCCCNC(=O)COc1ccccc1N.
What is the InChIKey of 2-(2-aminophenoxy)-N-(4-propan-2-yloxybutyl)acetamide?
The InChIKey is KALBHJIMKCWSSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-12(2)19-10-6-5-9-17-15(18)11-20-14-8-4-3-7-13(14)16/h3-4,7-8,12H,5-6,9-11,16H2,1-2H3,(H,17,18).
What are the key properties of 2-(2-aminophenoxy)-N-(4-propan-2-yloxybutyl)acetamide?
2-(2-aminophenoxy)-N-(4-propan-2-yloxybutyl)acetamide has a molecular weight of 280.37 g/mol, XLogP of 1.97, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminophenoxy)-N-(4-propan-2-yloxybutyl)acetamide is sourced from PubChem (CID 106006099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).