4-hydroxy-N-[4-(4-hydroxybut-1-ynyl)phenyl]benzamide

C17H15NO3 — CID 60803521

IUPAC4-hydroxy-N-[4-(4-hydroxybut-1-ynyl)phenyl]benzamide
SMILESO=C(Nc1ccc(C#CCCO)cc1)c1ccc(O)cc1
InChIInChI=1S/C17H15NO3/c19-12-2-1-3-13-4-8-15(9-5-13)18-17(21)14-6-10-16(20)11-7-14/h4-11,19-20H,2,12H2,(H,18,21)
InChIKeyHTMDGCQWKCYZPX-UHFFFAOYSA-N
MW281.31 g/mol
LogP2.38
Rot. Bonds3

About 4-hydroxy-N-[4-(4-hydroxybut-1-ynyl)phenyl]benzamide

4-hydroxy-N-[4-(4-hydroxybut-1-ynyl)phenyl]benzamide (PubChem CID 60803521) has the molecular formula C17H15NO3 and a molecular weight of 281.31 g/mol. Its IUPAC name is 4-hydroxy-N-[4-(4-hydroxybut-1-ynyl)phenyl]benzamide.

Molecular Properties

Compound Name4-hydroxy-N-[4-(4-hydroxybut-1-ynyl)phenyl]benzamide
PubChem CID60803521
Molecular FormulaC17H15NO3
Molecular Weight281.31 g/mol
Exact Mass281.11
IUPAC Name4-hydroxy-N-[4-(4-hydroxybut-1-ynyl)phenyl]benzamide
SMILESO=C(Nc1ccc(C#CCCO)cc1)c1ccc(O)cc1
InChIInChI=1S/C17H15NO3/c19-12-2-1-3-13-4-8-15(9-5-13)18-17(21)14-6-10-16(20)11-7-14/h4-11,19-20H,2,12H2,(H,18,21)
InChIKeyHTMDGCQWKCYZPX-UHFFFAOYSA-N
XLogP2.38
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 52.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(4-hydroxybut-1-ynyl)phenyl]acetamide
CID 60804040
N-[4-(4-hydroxybut-1-ynyl)phenyl]-1H-pyrrole-2-carboxamide
CID 54922388
N-[4-(4-hydroxybut-1-ynyl)phenyl]-2-methylpropanamide
CID 54922436
4-(4-hydroxybut-1-ynyl)-N-pyridin-2-ylbenzamide
CID 60817307
N-[4-(4-hydroxybut-1-ynyl)phenyl]-3,3-dimethylbutanamide
CID 60803690
N-[4-(4-hydroxybut-1-ynyl)phenyl]-2-methylsulfanylacetamide
CID 60804215
N-[4-(3-hydroxyprop-1-ynyl)phenyl]-4-methoxybenzamide
CID 60803282
4-(4-hydroxybut-1-ynyl)-N-(1,2,4-triazin-3-yl)benzamide
CID 114389040
4-(4-hydroxybut-1-ynyl)-N-(2,2,2-trifluoroethyl)benzamide
CID 54922298
N-cyclobutyl-4-(4-hydroxybut-1-ynyl)benzamide
CID 62414049
N-(3-amino-3-oxopropyl)-4-(4-hydroxybut-1-ynyl)benzamide
CID 60815623
N-(3,5-dimethyl-1H-pyrazol-4-yl)-4-(4-hydroxybut-1-ynyl)benzamide
CID 60815935

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-[4-(4-hydroxybut-1-ynyl)phenyl]benzamide?
The IUPAC name of 4-hydroxy-N-[4-(4-hydroxybut-1-ynyl)phenyl]benzamide (CID 60803521) is 4-hydroxy-N-[4-(4-hydroxybut-1-ynyl)phenyl]benzamide.
What is the SMILES notation for 4-hydroxy-N-[4-(4-hydroxybut-1-ynyl)phenyl]benzamide?
The canonical SMILES for 4-hydroxy-N-[4-(4-hydroxybut-1-ynyl)phenyl]benzamide is O=C(Nc1ccc(C#CCCO)cc1)c1ccc(O)cc1.
What is the InChIKey of 4-hydroxy-N-[4-(4-hydroxybut-1-ynyl)phenyl]benzamide?
The InChIKey is HTMDGCQWKCYZPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO3/c19-12-2-1-3-13-4-8-15(9-5-13)18-17(21)14-6-10-16(20)11-7-14/h4-11,19-20H,2,12H2,(H,18,21).
What are the key properties of 4-hydroxy-N-[4-(4-hydroxybut-1-ynyl)phenyl]benzamide?
4-hydroxy-N-[4-(4-hydroxybut-1-ynyl)phenyl]benzamide has a molecular weight of 281.31 g/mol, XLogP of 2.38, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-[4-(4-hydroxybut-1-ynyl)phenyl]benzamide is sourced from PubChem (CID 60803521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).