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

C17H15NO2 — CID 60800316

IUPACN-[2-(3-hydroxyprop-1-ynyl)phenyl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)Nc1ccccc1C#CCO
InChIInChI=1S/C17H15NO2/c1-13-7-2-4-10-15(13)17(20)18-16-11-5-3-8-14(16)9-6-12-19/h2-5,7-8,10-11,19H,12H2,1H3,(H,18,20)
InChIKeyJYTFLLMDOVMSCC-UHFFFAOYSA-N
MW265.31 g/mol
LogP2.59
Rot. Bonds2

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

N-[2-(3-hydroxyprop-1-ynyl)phenyl]-2-methylbenzamide (PubChem CID 60800316) has the molecular formula C17H15NO2 and a molecular weight of 265.31 g/mol. Its IUPAC name is N-[2-(3-hydroxyprop-1-ynyl)phenyl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[2-(3-hydroxyprop-1-ynyl)phenyl]-2-methylbenzamide
PubChem CID60800316
Molecular FormulaC17H15NO2
Molecular Weight265.31 g/mol
Exact Mass265.11
IUPAC NameN-[2-(3-hydroxyprop-1-ynyl)phenyl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)Nc1ccccc1C#CCO
InChIInChI=1S/C17H15NO2/c1-13-7-2-4-10-15(13)17(20)18-16-11-5-3-8-14(16)9-6-12-19/h2-5,7-8,10-11,19H,12H2,1H3,(H,18,20)
InChIKeyJYTFLLMDOVMSCC-UHFFFAOYSA-N
XLogP2.59
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 52.59
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-[4-chloro-2-(3-hydroxyprop-1-ynyl)phenyl]-2-methylbenzamide
CID 81259426
N-[4-(3-hydroxyprop-1-ynyl)-3-methylphenyl]-2-methylbenzamide
CID 60804519
[2-(3-hydroxyprop-1-ynyl)phenyl]urea
CID 60803594
N-[4-fluoro-3-(3-hydroxyprop-1-ynyl)phenyl]-2-methylbenzamide
CID 104780566
N-[2-(3-hydroxyprop-1-ynyl)phenyl]-4-methyl-1,2-oxazole-5-carboxamide
CID 66335883
N-[2-(3-hydroxyprop-1-ynyl)phenyl]propanamide
CID 60800142
N-[2-(3-hydroxyprop-1-ynyl)phenyl]-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 66475991
4-hydroxy-N-[2-(3-hydroxyprop-1-ynyl)phenyl]benzamide
CID 60802926
N-(2,3-dichlorophenyl)-2-(3-hydroxyprop-1-ynyl)benzamide
CID 60815627
2-(3-hydroxyprop-1-ynyl)-N-(3-methyl-2-pyridinyl)benzamide
CID 60817021
N-[2-(3-hydroxyprop-1-ynyl)phenyl]-4-methoxybenzamide
CID 60802229
N-[2-(3-hydroxyprop-1-ynyl)phenyl]-2-methylpyridine-4-carboxamide
CID 106753843

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-hydroxyprop-1-ynyl)phenyl]-2-methylbenzamide?
The IUPAC name of N-[2-(3-hydroxyprop-1-ynyl)phenyl]-2-methylbenzamide (CID 60800316) is N-[2-(3-hydroxyprop-1-ynyl)phenyl]-2-methylbenzamide.
What is the SMILES notation for N-[2-(3-hydroxyprop-1-ynyl)phenyl]-2-methylbenzamide?
The canonical SMILES for N-[2-(3-hydroxyprop-1-ynyl)phenyl]-2-methylbenzamide is Cc1ccccc1C(=O)Nc1ccccc1C#CCO.
What is the InChIKey of N-[2-(3-hydroxyprop-1-ynyl)phenyl]-2-methylbenzamide?
The InChIKey is JYTFLLMDOVMSCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO2/c1-13-7-2-4-10-15(13)17(20)18-16-11-5-3-8-14(16)9-6-12-19/h2-5,7-8,10-11,19H,12H2,1H3,(H,18,20).
What are the key properties of N-[2-(3-hydroxyprop-1-ynyl)phenyl]-2-methylbenzamide?
N-[2-(3-hydroxyprop-1-ynyl)phenyl]-2-methylbenzamide has a molecular weight of 265.31 g/mol, XLogP of 2.59, 2 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]-2-methylbenzamide is sourced from PubChem (CID 60800316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).