2-(4-aminobut-2-ynoxy)benzamide

C11H12N2O2 — CID 126851898

IUPAC2-(4-aminobut-2-ynoxy)benzamide
SMILESNCC#CCOc1ccccc1C(N)=O
InChIInChI=1S/C11H12N2O2/c12-7-3-4-8-15-10-6-2-1-5-9(10)11(13)14/h1-2,5-6H,7-8,12H2,(H2,13,14)
InChIKeyYKZXXVBLUTXUTG-UHFFFAOYSA-N
MW204.23 g/mol
LogP0.13
Rot. Bonds3

About 2-(4-aminobut-2-ynoxy)benzamide

2-(4-aminobut-2-ynoxy)benzamide (PubChem CID 126851898) has the molecular formula C11H12N2O2 and a molecular weight of 204.23 g/mol. Its IUPAC name is 2-(4-aminobut-2-ynoxy)benzamide.

Molecular Properties

Compound Name2-(4-aminobut-2-ynoxy)benzamide
PubChem CID126851898
Molecular FormulaC11H12N2O2
Molecular Weight204.23 g/mol
Exact Mass204.09
IUPAC Name2-(4-aminobut-2-ynoxy)benzamide
SMILESNCC#CCOc1ccccc1C(N)=O
InChIInChI=1S/C11H12N2O2/c12-7-3-4-8-15-10-6-2-1-5-9(10)11(13)14/h1-2,5-6H,7-8,12H2,(H2,13,14)
InChIKeyYKZXXVBLUTXUTG-UHFFFAOYSA-N
XLogP0.13
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-but-2-ynoxybenzamide
CID 177469094
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-(fluoromethoxy)benzamide;hydrochloride
CID 141068067
N-[4-(2-carbamoylphenoxy)but-2-ynyl]-1-methyltriazole-4-carboxamide
CID 71803293
2-[4-[[2-(3,4-dimethoxyphenyl)acetyl]amino]but-2-ynoxy]benzamide
CID 71803254

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminobut-2-ynoxy)benzamide?
The IUPAC name of 2-(4-aminobut-2-ynoxy)benzamide (CID 126851898) is 2-(4-aminobut-2-ynoxy)benzamide.
What is the SMILES notation for 2-(4-aminobut-2-ynoxy)benzamide?
The canonical SMILES for 2-(4-aminobut-2-ynoxy)benzamide is NCC#CCOc1ccccc1C(N)=O.
What is the InChIKey of 2-(4-aminobut-2-ynoxy)benzamide?
The InChIKey is YKZXXVBLUTXUTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2/c12-7-3-4-8-15-10-6-2-1-5-9(10)11(13)14/h1-2,5-6H,7-8,12H2,(H2,13,14).
What are the key properties of 2-(4-aminobut-2-ynoxy)benzamide?
2-(4-aminobut-2-ynoxy)benzamide has a molecular weight of 204.23 g/mol, XLogP of 0.13, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminobut-2-ynoxy)benzamide is sourced from PubChem (CID 126851898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).