2-but-2-ynoxybenzamide

C11H11NO2 — CID 177469094

IUPAC2-but-2-ynoxybenzamide
SMILESCC#CCOc1ccccc1C(N)=O
InChIInChI=1S/C11H11NO2/c1-2-3-8-14-10-7-5-4-6-9(10)11(12)13/h4-7H,8H2,1H3,(H2,12,13)
InChIKeyZXOXTEWNROJQIC-UHFFFAOYSA-N
MW189.21 g/mol
LogP1.19
Rot. Bonds3

About 2-but-2-ynoxybenzamide

2-but-2-ynoxybenzamide (PubChem CID 177469094) has the molecular formula C11H11NO2 and a molecular weight of 189.21 g/mol. Its IUPAC name is 2-but-2-ynoxybenzamide.

Molecular Properties

Compound Name2-but-2-ynoxybenzamide
PubChem CID177469094
Molecular FormulaC11H11NO2
Molecular Weight189.21 g/mol
Exact Mass189.08
IUPAC Name2-but-2-ynoxybenzamide
SMILESCC#CCOc1ccccc1C(N)=O
InChIInChI=1S/C11H11NO2/c1-2-3-8-14-10-7-5-4-6-9(10)11(12)13/h4-7H,8H2,1H3,(H2,12,13)
InChIKeyZXOXTEWNROJQIC-UHFFFAOYSA-N
XLogP1.19
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 51.19
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-aminobut-2-ynoxy)benzamide
CID 126851898
1-(2-but-2-ynoxyphenyl)propan-1-one
CID 62312337
2-(4-benzamidobut-2-ynoxy)benzamide
CID 90580452
ethyl 2-[4-(2-carbamoylphenoxy)but-2-ynylamino]-2-oxoacetate
CID 90580446
2-[4-(benzylcarbamoylamino)but-2-ynoxy]benzamide
CID 71803302
2-[4-[(2-methylsulfanylbenzoyl)amino]but-2-ynoxy]benzamide
CID 90580532
2-[4-[(4-methylphenyl)carbamoylamino]but-2-ynoxy]benzamide
CID 90580583
2-[4-[(2-thiophen-2-ylacetyl)amino]but-2-ynoxy]benzamide
CID 71803258
N-[4-(2-carbamoylphenoxy)but-2-ynyl]naphthalene-2-carboxamide
CID 90580490
N-[4-(2-carbamoylphenoxy)but-2-ynyl]-2-nitrobenzamide
CID 90580480
2-[(2R)-3-hydroxy-2-methylpropoxy]benzamide
CID 154452638
2-(fluoromethoxy)benzamide;hydrochloride
CID 141068067

Frequently Asked Questions

What is the IUPAC name of 2-but-2-ynoxybenzamide?
The IUPAC name of 2-but-2-ynoxybenzamide (CID 177469094) is 2-but-2-ynoxybenzamide.
What is the SMILES notation for 2-but-2-ynoxybenzamide?
The canonical SMILES for 2-but-2-ynoxybenzamide is CC#CCOc1ccccc1C(N)=O.
What is the InChIKey of 2-but-2-ynoxybenzamide?
The InChIKey is ZXOXTEWNROJQIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO2/c1-2-3-8-14-10-7-5-4-6-9(10)11(12)13/h4-7H,8H2,1H3,(H2,12,13).
What are the key properties of 2-but-2-ynoxybenzamide?
2-but-2-ynoxybenzamide has a molecular weight of 189.21 g/mol, XLogP of 1.19, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-but-2-ynoxybenzamide is sourced from PubChem (CID 177469094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).