N-but-2-ynyl-4-hydroxy-N-prop-2-enylbenzamide

C14H15NO2 — CID 102438854

IUPACN-but-2-ynyl-4-hydroxy-N-prop-2-enylbenzamide
SMILESC=CCN(CC#CC)C(=O)c1ccc(O)cc1
InChIInChI=1S/C14H15NO2/c1-3-5-11-15(10-4-2)14(17)12-6-8-13(16)9-7-12/h4,6-9,16H,2,10-11H2,1H3
InChIKeyOFGLQWGTHQIRKB-UHFFFAOYSA-N
MW229.28 g/mol
LogP2.04
Rot. Bonds4

About N-but-2-ynyl-4-hydroxy-N-prop-2-enylbenzamide

N-but-2-ynyl-4-hydroxy-N-prop-2-enylbenzamide (PubChem CID 102438854) has the molecular formula C14H15NO2 and a molecular weight of 229.28 g/mol. Its IUPAC name is N-but-2-ynyl-4-hydroxy-N-prop-2-enylbenzamide.

Molecular Properties

Compound NameN-but-2-ynyl-4-hydroxy-N-prop-2-enylbenzamide
PubChem CID102438854
Molecular FormulaC14H15NO2
Molecular Weight229.28 g/mol
Exact Mass229.11
IUPAC NameN-but-2-ynyl-4-hydroxy-N-prop-2-enylbenzamide
SMILESC=CCN(CC#CC)C(=O)c1ccc(O)cc1
InChIInChI=1S/C14H15NO2/c1-3-5-11-15(10-4-2)14(17)12-6-8-13(16)9-7-12/h4,6-9,16H,2,10-11H2,1H3
InChIKeyOFGLQWGTHQIRKB-UHFFFAOYSA-N
XLogP2.04
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-but-2-ynyl-4-hydroxy-N-prop-2-enylbenzamide?
The IUPAC name of N-but-2-ynyl-4-hydroxy-N-prop-2-enylbenzamide (CID 102438854) is N-but-2-ynyl-4-hydroxy-N-prop-2-enylbenzamide.
What is the SMILES notation for N-but-2-ynyl-4-hydroxy-N-prop-2-enylbenzamide?
The canonical SMILES for N-but-2-ynyl-4-hydroxy-N-prop-2-enylbenzamide is C=CCN(CC#CC)C(=O)c1ccc(O)cc1.
What is the InChIKey of N-but-2-ynyl-4-hydroxy-N-prop-2-enylbenzamide?
The InChIKey is OFGLQWGTHQIRKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2/c1-3-5-11-15(10-4-2)14(17)12-6-8-13(16)9-7-12/h4,6-9,16H,2,10-11H2,1H3.
What are the key properties of N-but-2-ynyl-4-hydroxy-N-prop-2-enylbenzamide?
N-but-2-ynyl-4-hydroxy-N-prop-2-enylbenzamide has a molecular weight of 229.28 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-2-ynyl-4-hydroxy-N-prop-2-enylbenzamide is sourced from PubChem (CID 102438854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).