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

C14H14N2O — CID 113245290

IUPAC2-(4-cyanophenyl)-N-pent-4-yn-2-ylacetamide
SMILESC#CCC(C)NC(=O)Cc1ccc(C#N)cc1
InChIInChI=1S/C14H14N2O/c1-3-4-11(2)16-14(17)9-12-5-7-13(10-15)8-6-12/h1,5-8,11H,4,9H2,2H3,(H,16,17)
InChIKeyFCZILUYINRWTBT-UHFFFAOYSA-N
MW226.28 g/mol
LogP1.63
Rot. Bonds4

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

2-(4-cyanophenyl)-N-pent-4-yn-2-ylacetamide (PubChem CID 113245290) has the molecular formula C14H14N2O and a molecular weight of 226.28 g/mol. Its IUPAC name is 2-(4-cyanophenyl)-N-pent-4-yn-2-ylacetamide.

Molecular Properties

Compound Name2-(4-cyanophenyl)-N-pent-4-yn-2-ylacetamide
PubChem CID113245290
Molecular FormulaC14H14N2O
Molecular Weight226.28 g/mol
Exact Mass226.11
IUPAC Name2-(4-cyanophenyl)-N-pent-4-yn-2-ylacetamide
SMILESC#CCC(C)NC(=O)Cc1ccc(C#N)cc1
InChIInChI=1S/C14H14N2O/c1-3-4-11(2)16-14(17)9-12-5-7-13(10-15)8-6-12/h1,5-8,11H,4,9H2,2H3,(H,16,17)
InChIKeyFCZILUYINRWTBT-UHFFFAOYSA-N
XLogP1.63
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(4-cyanophenoxy)-N-pent-4-yn-2-ylacetamide
CID 115661987
2-(4-cyanophenyl)-N-heptan-2-ylacetamide
CID 62404717
3-[[2-(4-cyanophenyl)acetyl]amino]butanamide
CID 115664791
1-(4-cyanophenyl)-3-pent-4-yn-2-ylurea
CID 115662961
4-[(pent-4-yn-2-ylamino)methyl]benzonitrile
CID 115660257
2-(4-cyanophenyl)-N-(3-ethylpentan-2-yl)acetamide
CID 55259609
2-(4-chlorophenyl)-N-(1-cyanopropan-2-yl)acetamide
CID 55209733
2-(4-cyanophenyl)-N-[1-(4-methylphenyl)ethyl]acetamide
CID 62403132
N-(1-cyanopropan-2-yl)-2-phenylacetamide
CID 55211217
2-(4-cyanophenyl)-N-(1-hydroxybutan-2-yl)acetamide
CID 103944313
2-[[2-(4-cyanophenyl)acetyl]amino]-N-propylpropanamide
CID 62404547
2-[[2-(4-cyanophenyl)acetyl]amino]-N,N-diethylpropanamide
CID 115599662

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyanophenyl)-N-pent-4-yn-2-ylacetamide?
The IUPAC name of 2-(4-cyanophenyl)-N-pent-4-yn-2-ylacetamide (CID 113245290) is 2-(4-cyanophenyl)-N-pent-4-yn-2-ylacetamide.
What is the SMILES notation for 2-(4-cyanophenyl)-N-pent-4-yn-2-ylacetamide?
The canonical SMILES for 2-(4-cyanophenyl)-N-pent-4-yn-2-ylacetamide is C#CCC(C)NC(=O)Cc1ccc(C#N)cc1.
What is the InChIKey of 2-(4-cyanophenyl)-N-pent-4-yn-2-ylacetamide?
The InChIKey is FCZILUYINRWTBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O/c1-3-4-11(2)16-14(17)9-12-5-7-13(10-15)8-6-12/h1,5-8,11H,4,9H2,2H3,(H,16,17).
What are the key properties of 2-(4-cyanophenyl)-N-pent-4-yn-2-ylacetamide?
2-(4-cyanophenyl)-N-pent-4-yn-2-ylacetamide has a molecular weight of 226.28 g/mol, XLogP of 1.63, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyanophenyl)-N-pent-4-yn-2-ylacetamide is sourced from PubChem (CID 113245290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).