N-[2-(3-hydroxyprop-1-ynyl)phenyl]butanamide

C13H15NO2 — CID 60800145

IUPACN-[2-(3-hydroxyprop-1-ynyl)phenyl]butanamide
SMILESCCCC(=O)Nc1ccccc1C#CCO
InChIInChI=1S/C13H15NO2/c1-2-6-13(16)14-12-9-4-3-7-11(12)8-5-10-15/h3-4,7,9,15H,2,6,10H2,1H3,(H,14,16)
InChIKeyFNTDDUCDFBXBCR-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.77
Rot. Bonds3

About N-[2-(3-hydroxyprop-1-ynyl)phenyl]butanamide

N-[2-(3-hydroxyprop-1-ynyl)phenyl]butanamide (PubChem CID 60800145) has the molecular formula C13H15NO2 and a molecular weight of 217.27 g/mol. Its IUPAC name is N-[2-(3-hydroxyprop-1-ynyl)phenyl]butanamide.

Molecular Properties

Compound NameN-[2-(3-hydroxyprop-1-ynyl)phenyl]butanamide
PubChem CID60800145
Molecular FormulaC13H15NO2
Molecular Weight217.27 g/mol
Exact Mass217.11
IUPAC NameN-[2-(3-hydroxyprop-1-ynyl)phenyl]butanamide
SMILESCCCC(=O)Nc1ccccc1C#CCO
InChIInChI=1S/C13H15NO2/c1-2-6-13(16)14-12-9-4-3-7-11(12)8-5-10-15/h3-4,7,9,15H,2,6,10H2,1H3,(H,14,16)
InChIKeyFNTDDUCDFBXBCR-UHFFFAOYSA-N
XLogP1.77
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.77
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

N-[2-(3-hydroxyprop-1-ynyl)phenyl]propanamide
CID 60800142
N-[2-(3-hydroxyprop-1-ynyl)phenyl]-3,3-dimethylbutanamide
CID 60803097
[2-(3-hydroxyprop-1-ynyl)phenyl]urea
CID 60803594
3-cyclopentyl-N-[2-(3-hydroxyprop-1-ynyl)phenyl]propanamide
CID 60803095
N-[2-(3-hydroxyprop-1-ynyl)phenyl]-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 66475991
N-[2-(3-hydroxyprop-1-ynyl)phenyl]-3-(1,2,4-triazol-1-yl)propanamide
CID 60802050
N-[2-(3-hydroxyprop-1-ynyl)phenyl]-2-methylbenzamide
CID 60800316
2-(3-chlorophenyl)-N-[2-(3-hydroxyprop-1-ynyl)phenyl]acetamide
CID 62504278
ethane;N-(2-hydroxyphenyl)butanamide
CID 142538893
4-hydroxy-N-[2-(3-hydroxyprop-1-ynyl)phenyl]benzamide
CID 60802926
2-(3,5-dimethylpyrazol-1-yl)-N-[2-(3-hydroxyprop-1-ynyl)phenyl]acetamide
CID 60802220
N-[2-(4-hydroxybut-1-ynyl)phenyl]-2-propoxyacetamide
CID 107940347

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-hydroxyprop-1-ynyl)phenyl]butanamide?
The IUPAC name of N-[2-(3-hydroxyprop-1-ynyl)phenyl]butanamide (CID 60800145) is N-[2-(3-hydroxyprop-1-ynyl)phenyl]butanamide.
What is the SMILES notation for N-[2-(3-hydroxyprop-1-ynyl)phenyl]butanamide?
The canonical SMILES for N-[2-(3-hydroxyprop-1-ynyl)phenyl]butanamide is CCCC(=O)Nc1ccccc1C#CCO.
What is the InChIKey of N-[2-(3-hydroxyprop-1-ynyl)phenyl]butanamide?
The InChIKey is FNTDDUCDFBXBCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2/c1-2-6-13(16)14-12-9-4-3-7-11(12)8-5-10-15/h3-4,7,9,15H,2,6,10H2,1H3,(H,14,16).
What are the key properties of N-[2-(3-hydroxyprop-1-ynyl)phenyl]butanamide?
N-[2-(3-hydroxyprop-1-ynyl)phenyl]butanamide has a molecular weight of 217.27 g/mol, XLogP of 1.77, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-hydroxyprop-1-ynyl)phenyl]butanamide is sourced from PubChem (CID 60800145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).