2-(4-hydroxyphenyl)-N-pent-1-yn-3-ylacetamide

C13H15NO2 — CID 103579156

IUPAC2-(4-hydroxyphenyl)-N-pent-1-yn-3-ylacetamide
SMILESC#CC(CC)NC(=O)Cc1ccc(O)cc1
InChIInChI=1S/C13H15NO2/c1-3-11(4-2)14-13(16)9-10-5-7-12(15)8-6-10/h1,5-8,11,15H,4,9H2,2H3,(H,14,16)
InChIKeyGRXJMCATMSAZTD-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.46
Rot. Bonds4

About 2-(4-hydroxyphenyl)-N-pent-1-yn-3-ylacetamide

2-(4-hydroxyphenyl)-N-pent-1-yn-3-ylacetamide (PubChem CID 103579156) has the molecular formula C13H15NO2 and a molecular weight of 217.27 g/mol. Its IUPAC name is 2-(4-hydroxyphenyl)-N-pent-1-yn-3-ylacetamide.

Molecular Properties

Compound Name2-(4-hydroxyphenyl)-N-pent-1-yn-3-ylacetamide
PubChem CID103579156
Molecular FormulaC13H15NO2
Molecular Weight217.27 g/mol
Exact Mass217.11
IUPAC Name2-(4-hydroxyphenyl)-N-pent-1-yn-3-ylacetamide
SMILESC#CC(CC)NC(=O)Cc1ccc(O)cc1
InChIInChI=1S/C13H15NO2/c1-3-11(4-2)14-13(16)9-10-5-7-12(15)8-6-10/h1,5-8,11,15H,4,9H2,2H3,(H,14,16)
InChIKeyGRXJMCATMSAZTD-UHFFFAOYSA-N
XLogP1.46
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(4-hydroxyphenyl)-2-(pent-1-yn-3-ylcarbamoylamino)propanoic acid
CID 106232013
N-(1-aminobutan-2-yl)-2-(4-hydroxyphenyl)acetamide
CID 65193879
2-(4-aminophenyl)-N-hex-1-yn-3-ylacetamide
CID 106223446
2-(methylamino)-N-pent-1-yn-3-ylacetamide
CID 106230235
2-amino-5-hydroxy-N-pent-1-yn-3-ylbenzamide
CID 106223358
3,5-dihydroxy-N-pent-1-yn-3-ylbenzamide
CID 103579335
N-hex-1-yn-3-yl-2-naphthalen-2-ylacetamide
CID 103528710
3,3-dimethyl-N-pent-1-yn-3-ylbutanamide
CID 103578952
(2R)-2-[[2-(4-hydroxyphenyl)acetyl]amino]-3-methylbutanoic acid
CID 28934153
2-amino-N-[2-oxo-2-(pent-1-yn-3-ylamino)ethyl]acetamide
CID 106230441
2-(4-hydroxyphenyl)-N-[1-(4-methoxyphenyl)propyl]acetamide
CID 78807011
3-(4-aminophenyl)-N-pent-1-yn-3-ylbutanamide
CID 114161325

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxyphenyl)-N-pent-1-yn-3-ylacetamide?
The IUPAC name of 2-(4-hydroxyphenyl)-N-pent-1-yn-3-ylacetamide (CID 103579156) is 2-(4-hydroxyphenyl)-N-pent-1-yn-3-ylacetamide.
What is the SMILES notation for 2-(4-hydroxyphenyl)-N-pent-1-yn-3-ylacetamide?
The canonical SMILES for 2-(4-hydroxyphenyl)-N-pent-1-yn-3-ylacetamide is C#CC(CC)NC(=O)Cc1ccc(O)cc1.
What is the InChIKey of 2-(4-hydroxyphenyl)-N-pent-1-yn-3-ylacetamide?
The InChIKey is GRXJMCATMSAZTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2/c1-3-11(4-2)14-13(16)9-10-5-7-12(15)8-6-10/h1,5-8,11,15H,4,9H2,2H3,(H,14,16).
What are the key properties of 2-(4-hydroxyphenyl)-N-pent-1-yn-3-ylacetamide?
2-(4-hydroxyphenyl)-N-pent-1-yn-3-ylacetamide has a molecular weight of 217.27 g/mol, XLogP of 1.46, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxyphenyl)-N-pent-1-yn-3-ylacetamide is sourced from PubChem (CID 103579156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).