N-[5-(3-hydroxyprop-1-ynyl)-2-methylphenyl]octanamide

C18H25NO2 — CID 60803826

IUPACN-[5-(3-hydroxyprop-1-ynyl)-2-methylphenyl]octanamide
SMILESCCCCCCCC(=O)Nc1cc(C#CCO)ccc1C
InChIInChI=1S/C18H25NO2/c1-3-4-5-6-7-10-18(21)19-17-14-16(9-8-13-20)12-11-15(17)2/h11-12,14,20H,3-7,10,13H2,1-2H3,(H,19,21)
InChIKeyPASZLKKBAFFOKH-UHFFFAOYSA-N
MW287.40 g/mol
LogP3.64
Rot. Bonds7

About N-[5-(3-hydroxyprop-1-ynyl)-2-methylphenyl]octanamide

N-[5-(3-hydroxyprop-1-ynyl)-2-methylphenyl]octanamide (PubChem CID 60803826) has the molecular formula C18H25NO2 and a molecular weight of 287.40 g/mol. Its IUPAC name is N-[5-(3-hydroxyprop-1-ynyl)-2-methylphenyl]octanamide.

Molecular Properties

Compound NameN-[5-(3-hydroxyprop-1-ynyl)-2-methylphenyl]octanamide
PubChem CID60803826
Molecular FormulaC18H25NO2
Molecular Weight287.40 g/mol
Exact Mass287.19
IUPAC NameN-[5-(3-hydroxyprop-1-ynyl)-2-methylphenyl]octanamide
SMILESCCCCCCCC(=O)Nc1cc(C#CCO)ccc1C
InChIInChI=1S/C18H25NO2/c1-3-4-5-6-7-10-18(21)19-17-14-16(9-8-13-20)12-11-15(17)2/h11-12,14,20H,3-7,10,13H2,1-2H3,(H,19,21)
InChIKeyPASZLKKBAFFOKH-UHFFFAOYSA-N
XLogP3.64
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[5-(4-hydroxybut-1-ynyl)-2-methylphenyl]pentanamide
CID 60803025
N-[2-ethyl-4-(3-hydroxyprop-1-ynyl)phenyl]heptanamide
CID 114753322
N-[2-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]octanamide
CID 60802780
N-(5-chloro-2-methylphenyl)decanamide
CID 5144260
N-[3-(3-hydroxyprop-1-ynyl)phenyl]nonanamide
CID 65426940
N-[2-(3-hydroxyprop-1-ynyl)-5-methylphenyl]octanamide
CID 82746747
N-[4-(3-hydroxyprop-1-ynyl)-3-methylphenyl]octanamide
CID 60803124
4-methyl-3-(octadecanoylamino)benzoic acid
CID 12800027
N-(2-hydroxy-4,5-dimethylphenyl)tetradecanamide
CID 20778606
N-(2,5-dimethylphenyl)-4-oxo-4-(2-tetradecanoylhydrazinyl)butanamide
CID 54792025
N-(2-methyl-5-propan-2-ylphenyl)octanamide
CID 4069709
N-[5-(3-hydroxyprop-1-ynyl)-2-methylphenyl]-4-methylbenzamide
CID 60805079

Frequently Asked Questions

What is the IUPAC name of N-[5-(3-hydroxyprop-1-ynyl)-2-methylphenyl]octanamide?
The IUPAC name of N-[5-(3-hydroxyprop-1-ynyl)-2-methylphenyl]octanamide (CID 60803826) is N-[5-(3-hydroxyprop-1-ynyl)-2-methylphenyl]octanamide.
What is the SMILES notation for N-[5-(3-hydroxyprop-1-ynyl)-2-methylphenyl]octanamide?
The canonical SMILES for N-[5-(3-hydroxyprop-1-ynyl)-2-methylphenyl]octanamide is CCCCCCCC(=O)Nc1cc(C#CCO)ccc1C.
What is the InChIKey of N-[5-(3-hydroxyprop-1-ynyl)-2-methylphenyl]octanamide?
The InChIKey is PASZLKKBAFFOKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO2/c1-3-4-5-6-7-10-18(21)19-17-14-16(9-8-13-20)12-11-15(17)2/h11-12,14,20H,3-7,10,13H2,1-2H3,(H,19,21).
What are the key properties of N-[5-(3-hydroxyprop-1-ynyl)-2-methylphenyl]octanamide?
N-[5-(3-hydroxyprop-1-ynyl)-2-methylphenyl]octanamide has a molecular weight of 287.40 g/mol, XLogP of 3.64, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3-hydroxyprop-1-ynyl)-2-methylphenyl]octanamide is sourced from PubChem (CID 60803826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).