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

C13H15NO2 — CID 115665144

IUPAC2-(2-hydroxyphenyl)-N-pent-4-yn-2-ylacetamide
SMILESC#CCC(C)NC(=O)Cc1ccccc1O
InChIInChI=1S/C13H15NO2/c1-3-6-10(2)14-13(16)9-11-7-4-5-8-12(11)15/h1,4-5,7-8,10,15H,6,9H2,2H3,(H,14,16)
InChIKeyPDVXYDPRPAHUOZ-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.46
Rot. Bonds4

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

2-(2-hydroxyphenyl)-N-pent-4-yn-2-ylacetamide (PubChem CID 115665144) has the molecular formula C13H15NO2 and a molecular weight of 217.27 g/mol. Its IUPAC name is 2-(2-hydroxyphenyl)-N-pent-4-yn-2-ylacetamide.

Molecular Properties

Compound Name2-(2-hydroxyphenyl)-N-pent-4-yn-2-ylacetamide
PubChem CID115665144
Molecular FormulaC13H15NO2
Molecular Weight217.27 g/mol
Exact Mass217.11
IUPAC Name2-(2-hydroxyphenyl)-N-pent-4-yn-2-ylacetamide
SMILESC#CCC(C)NC(=O)Cc1ccccc1O
InChIInChI=1S/C13H15NO2/c1-3-6-10(2)14-13(16)9-11-7-4-5-8-12(11)15/h1,4-5,7-8,10,15H,6,9H2,2H3,(H,14,16)
InChIKeyPDVXYDPRPAHUOZ-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

2-(2-hydroxyphenyl)-N-propan-2-ylacetamide
CID 78990911
N-[5-(diethylamino)pentan-2-yl]-2-(2-hydroxyphenyl)acetamide
CID 78916581
N-(4-ethylsulfanylbutan-2-yl)-2-(2-hydroxyphenyl)acetamide
CID 115665163
2-(2,5-dimethylphenyl)-N-pent-4-yn-2-ylacetamide
CID 115662051
N-(1-ethoxypropan-2-yl)-2-(2-hydroxyphenyl)acetamide
CID 78916993
2-(4-cyanophenyl)-N-pent-4-yn-2-ylacetamide
CID 113245290
N-pent-4-yn-2-ylpropanamide
CID 115661827
N-pent-4-yn-2-yl-4-phenylbutanamide
CID 115661905
N-[(2S)-1-cyanopropan-2-yl]-3-(2-hydroxyphenyl)propanamide
CID 94817990
1-pent-4-yn-2-yl-3-phenylurea
CID 115661055
3-[[2-(2-chlorophenyl)acetyl]amino]butanoic acid
CID 43240713
N-(1-chloro-3-methylbutan-2-yl)-2-(2-hydroxyphenyl)acetamide
CID 114305332

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyphenyl)-N-pent-4-yn-2-ylacetamide?
The IUPAC name of 2-(2-hydroxyphenyl)-N-pent-4-yn-2-ylacetamide (CID 115665144) is 2-(2-hydroxyphenyl)-N-pent-4-yn-2-ylacetamide.
What is the SMILES notation for 2-(2-hydroxyphenyl)-N-pent-4-yn-2-ylacetamide?
The canonical SMILES for 2-(2-hydroxyphenyl)-N-pent-4-yn-2-ylacetamide is C#CCC(C)NC(=O)Cc1ccccc1O.
What is the InChIKey of 2-(2-hydroxyphenyl)-N-pent-4-yn-2-ylacetamide?
The InChIKey is PDVXYDPRPAHUOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2/c1-3-6-10(2)14-13(16)9-11-7-4-5-8-12(11)15/h1,4-5,7-8,10,15H,6,9H2,2H3,(H,14,16).
What are the key properties of 2-(2-hydroxyphenyl)-N-pent-4-yn-2-ylacetamide?
2-(2-hydroxyphenyl)-N-pent-4-yn-2-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-(2-hydroxyphenyl)-N-pent-4-yn-2-ylacetamide is sourced from PubChem (CID 115665144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).