2-(4-cyanophenoxy)-N-pent-4-yn-2-ylacetamide

C14H14N2O2 — CID 115661987

IUPAC2-(4-cyanophenoxy)-N-pent-4-yn-2-ylacetamide
SMILESC#CCC(C)NC(=O)COc1ccc(C#N)cc1
InChIInChI=1S/C14H14N2O2/c1-3-4-11(2)16-14(17)10-18-13-7-5-12(9-15)6-8-13/h1,5-8,11H,4,10H2,2H3,(H,16,17)
InChIKeyRRKUQQZTJRDSNG-UHFFFAOYSA-N
MW242.28 g/mol
LogP1.47
Rot. Bonds5

About 2-(4-cyanophenoxy)-N-pent-4-yn-2-ylacetamide

2-(4-cyanophenoxy)-N-pent-4-yn-2-ylacetamide (PubChem CID 115661987) has the molecular formula C14H14N2O2 and a molecular weight of 242.28 g/mol. Its IUPAC name is 2-(4-cyanophenoxy)-N-pent-4-yn-2-ylacetamide.

Molecular Properties

Compound Name2-(4-cyanophenoxy)-N-pent-4-yn-2-ylacetamide
PubChem CID115661987
Molecular FormulaC14H14N2O2
Molecular Weight242.28 g/mol
Exact Mass242.11
IUPAC Name2-(4-cyanophenoxy)-N-pent-4-yn-2-ylacetamide
SMILESC#CCC(C)NC(=O)COc1ccc(C#N)cc1
InChIInChI=1S/C14H14N2O2/c1-3-4-11(2)16-14(17)10-18-13-7-5-12(9-15)6-8-13/h1,5-8,11H,4,10H2,2H3,(H,16,17)
InChIKeyRRKUQQZTJRDSNG-UHFFFAOYSA-N
XLogP1.47
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4-cyanophenoxy)-N-[(2R)-pentan-2-yl]acetamide
CID 7503246
2-(4-cyanophenyl)-N-pent-4-yn-2-ylacetamide
CID 113245290
2-(4-cyanophenoxy)-N-(6-methylheptan-2-yl)acetamide
CID 51172702
2-(4-cyanophenoxy)-N-(4-ethylsulfanylbutan-2-yl)acetamide
CID 115662181
2-(4-cyanophenoxy)-N-(4-phenylbutan-2-yl)acetamide
CID 3593728
2-(4-cyanophenoxy)-N-(1-pyrrolidin-1-ylpropan-2-yl)acetamide
CID 61217343
(2R)-2-[[2-(4-cyanophenoxy)acetyl]amino]propanoic acid
CID 54990947
2-[[2-(4-cyanophenoxy)acetyl]amino]-3-hydroxybutanoic acid
CID 43091829
2-(4-cyanophenoxy)-N-[(1S)-1-phenylethyl]acetamide
CID 2711808
1-(4-cyanophenyl)-3-pent-4-yn-2-ylurea
CID 115662961
N'-[2-(4-cyanophenoxy)acetyl]-2-methylpropanehydrazide
CID 24672619
2-(4-cyanophenoxy)-N-(4-methylpentyl)acetamide
CID 32613683

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyanophenoxy)-N-pent-4-yn-2-ylacetamide?
The IUPAC name of 2-(4-cyanophenoxy)-N-pent-4-yn-2-ylacetamide (CID 115661987) is 2-(4-cyanophenoxy)-N-pent-4-yn-2-ylacetamide.
What is the SMILES notation for 2-(4-cyanophenoxy)-N-pent-4-yn-2-ylacetamide?
The canonical SMILES for 2-(4-cyanophenoxy)-N-pent-4-yn-2-ylacetamide is C#CCC(C)NC(=O)COc1ccc(C#N)cc1.
What is the InChIKey of 2-(4-cyanophenoxy)-N-pent-4-yn-2-ylacetamide?
The InChIKey is RRKUQQZTJRDSNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2/c1-3-4-11(2)16-14(17)10-18-13-7-5-12(9-15)6-8-13/h1,5-8,11H,4,10H2,2H3,(H,16,17).
What are the key properties of 2-(4-cyanophenoxy)-N-pent-4-yn-2-ylacetamide?
2-(4-cyanophenoxy)-N-pent-4-yn-2-ylacetamide has a molecular weight of 242.28 g/mol, XLogP of 1.47, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyanophenoxy)-N-pent-4-yn-2-ylacetamide is sourced from PubChem (CID 115661987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).