2-(2-aminophenoxy)-N-pent-4-ynylacetamide

C13H16N2O2 — CID 106219762

IUPAC2-(2-aminophenoxy)-N-pent-4-ynylacetamide
SMILESC#CCCCNC(=O)COc1ccccc1N
InChIInChI=1S/C13H16N2O2/c1-2-3-6-9-15-13(16)10-17-12-8-5-4-7-11(12)14/h1,4-5,7-8H,3,6,9-10,14H2,(H,15,16)
InChIKeyKOOCIBIBHHQWLT-UHFFFAOYSA-N
MW232.28 g/mol
LogP1.18
Rot. Bonds6

About 2-(2-aminophenoxy)-N-pent-4-ynylacetamide

2-(2-aminophenoxy)-N-pent-4-ynylacetamide (PubChem CID 106219762) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is 2-(2-aminophenoxy)-N-pent-4-ynylacetamide.

Molecular Properties

Compound Name2-(2-aminophenoxy)-N-pent-4-ynylacetamide
PubChem CID106219762
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name2-(2-aminophenoxy)-N-pent-4-ynylacetamide
SMILESC#CCCCNC(=O)COc1ccccc1N
InChIInChI=1S/C13H16N2O2/c1-2-3-6-9-15-13(16)10-17-12-8-5-4-7-11(12)14/h1,4-5,7-8H,3,6,9-10,14H2,(H,15,16)
InChIKeyKOOCIBIBHHQWLT-UHFFFAOYSA-N
XLogP1.18
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[[2-(2-aminophenoxy)acetyl]amino]butanamide
CID 60865173
N-hex-5-ynyl-2-phenoxyacetamide
CID 103758132
2-(2-aminophenoxy)-N-(4-propan-2-yloxybutyl)acetamide
CID 106006099
2-(2-aminophenoxy)-N-ethylacetamide
CID 16776803
2-(2-aminophenoxy)-N-(3-imidazol-1-ylpropyl)acetamide
CID 28993548
2-(2-aminophenoxy)-N-(2-hydroxy-2-methylpropyl)acetamide
CID 65103907
2-(2-aminophenoxy)-N-(2,2,3,3-tetrafluoropropyl)acetamide
CID 106289109
2-(2-aminophenoxy)-N-pyrimidin-2-ylacetamide
CID 24701689
ethyl 2-[[2-(2-aminophenoxy)acetyl]amino]acetate
CID 60812238
2-(2-aminophenoxy)-N-(cyclohexylmethyl)acetamide
CID 43371365
3-(2-aminophenoxy)-N-pentylpropanamide
CID 61090081
2-(2-aminophenoxy)-N-[(2-fluorophenyl)methyl]acetamide
CID 16781117

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminophenoxy)-N-pent-4-ynylacetamide?
The IUPAC name of 2-(2-aminophenoxy)-N-pent-4-ynylacetamide (CID 106219762) is 2-(2-aminophenoxy)-N-pent-4-ynylacetamide.
What is the SMILES notation for 2-(2-aminophenoxy)-N-pent-4-ynylacetamide?
The canonical SMILES for 2-(2-aminophenoxy)-N-pent-4-ynylacetamide is C#CCCCNC(=O)COc1ccccc1N.
What is the InChIKey of 2-(2-aminophenoxy)-N-pent-4-ynylacetamide?
The InChIKey is KOOCIBIBHHQWLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-2-3-6-9-15-13(16)10-17-12-8-5-4-7-11(12)14/h1,4-5,7-8H,3,6,9-10,14H2,(H,15,16).
What are the key properties of 2-(2-aminophenoxy)-N-pent-4-ynylacetamide?
2-(2-aminophenoxy)-N-pent-4-ynylacetamide has a molecular weight of 232.28 g/mol, XLogP of 1.18, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminophenoxy)-N-pent-4-ynylacetamide is sourced from PubChem (CID 106219762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).