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

C18H25NO2 — CID 82746747

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

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

N-[2-(3-hydroxyprop-1-ynyl)-5-methylphenyl]octanamide (PubChem CID 82746747) has the molecular formula C18H25NO2 and a molecular weight of 287.40 g/mol. Its IUPAC name is N-[2-(3-hydroxyprop-1-ynyl)-5-methylphenyl]octanamide.

Molecular Properties

Compound NameN-[2-(3-hydroxyprop-1-ynyl)-5-methylphenyl]octanamide
PubChem CID82746747
Molecular FormulaC18H25NO2
Molecular Weight287.40 g/mol
Exact Mass287.19
IUPAC NameN-[2-(3-hydroxyprop-1-ynyl)-5-methylphenyl]octanamide
SMILESCCCCCCCC(=O)Nc1cc(C)ccc1C#CCO
InChIInChI=1S/C18H25NO2/c1-3-4-5-6-7-10-18(21)19-17-14-15(2)11-12-16(17)9-8-13-20/h11-12,14,20H,3-7,10,13H2,1-2H3,(H,19,21)
InChIKeyPYDJPHYQPKXWBG-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-[2-(3-aminoprop-1-ynyl)-5-methylphenyl]octanamide
CID 82750402
N-[2-(3-aminoprop-1-ynyl)-5-methylphenyl]heptanamide
CID 114753360
N-[2-(3-hydroxyprop-1-ynyl)-5-methylphenyl]-4-methylpentanamide
CID 82766423
N-[4-(3-hydroxyprop-1-ynyl)-3-methylphenyl]octanamide
CID 60803124
N-[2-(3-hydroxyprop-1-ynyl)-5-methylphenyl]-2-methoxyacetamide
CID 82766739
N-[2-(3-hydroxyprop-1-ynyl)-5-methylphenyl]-3-methylpentanamide
CID 114875840
N-[5-(3-hydroxyprop-1-ynyl)-2-methylphenyl]octanamide
CID 60803826
3-cyclopentyl-N-[2-(3-hydroxyprop-1-ynyl)-5-methylphenyl]propanamide
CID 82746748
2-ethyl-N-[2-(3-hydroxyprop-1-ynyl)-5-methylphenyl]hexanamide
CID 82747365
N-[2-(3-hydroxyprop-1-ynyl)-5-methylphenyl]-2-methylpropanamide
CID 82767041
N-(2-amino-5-methylphenyl)heptanamide
CID 114752035
N-(2-bromo-5-methylphenyl)decanamide
CID 82757665

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-hydroxyprop-1-ynyl)-5-methylphenyl]octanamide?
The IUPAC name of N-[2-(3-hydroxyprop-1-ynyl)-5-methylphenyl]octanamide (CID 82746747) is N-[2-(3-hydroxyprop-1-ynyl)-5-methylphenyl]octanamide.
What is the SMILES notation for N-[2-(3-hydroxyprop-1-ynyl)-5-methylphenyl]octanamide?
The canonical SMILES for N-[2-(3-hydroxyprop-1-ynyl)-5-methylphenyl]octanamide is CCCCCCCC(=O)Nc1cc(C)ccc1C#CCO.
What is the InChIKey of N-[2-(3-hydroxyprop-1-ynyl)-5-methylphenyl]octanamide?
The InChIKey is PYDJPHYQPKXWBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO2/c1-3-4-5-6-7-10-18(21)19-17-14-15(2)11-12-16(17)9-8-13-20/h11-12,14,20H,3-7,10,13H2,1-2H3,(H,19,21).
What are the key properties of N-[2-(3-hydroxyprop-1-ynyl)-5-methylphenyl]octanamide?
N-[2-(3-hydroxyprop-1-ynyl)-5-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-[2-(3-hydroxyprop-1-ynyl)-5-methylphenyl]octanamide is sourced from PubChem (CID 82746747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).