N-[4-(3-hydroxyprop-1-ynyl)-3-methylphenyl]octanamide

C18H25NO2 — CID 60803124

IUPACN-[4-(3-hydroxyprop-1-ynyl)-3-methylphenyl]octanamide
SMILESCCCCCCCC(=O)Nc1ccc(C#CCO)c(C)c1
InChIInChI=1S/C18H25NO2/c1-3-4-5-6-7-10-18(21)19-17-12-11-16(9-8-13-20)15(2)14-17/h11-12,14,20H,3-7,10,13H2,1-2H3,(H,19,21)
InChIKeyXUTONCMTZTVOFA-UHFFFAOYSA-N
MW287.40 g/mol
LogP3.64
Rot. Bonds7

About N-[4-(3-hydroxyprop-1-ynyl)-3-methylphenyl]octanamide

N-[4-(3-hydroxyprop-1-ynyl)-3-methylphenyl]octanamide (PubChem CID 60803124) has the molecular formula C18H25NO2 and a molecular weight of 287.40 g/mol. Its IUPAC name is N-[4-(3-hydroxyprop-1-ynyl)-3-methylphenyl]octanamide.

Molecular Properties

Compound NameN-[4-(3-hydroxyprop-1-ynyl)-3-methylphenyl]octanamide
PubChem CID60803124
Molecular FormulaC18H25NO2
Molecular Weight287.40 g/mol
Exact Mass287.19
IUPAC NameN-[4-(3-hydroxyprop-1-ynyl)-3-methylphenyl]octanamide
SMILESCCCCCCCC(=O)Nc1ccc(C#CCO)c(C)c1
InChIInChI=1S/C18H25NO2/c1-3-4-5-6-7-10-18(21)19-17-12-11-16(9-8-13-20)15(2)14-17/h11-12,14,20H,3-7,10,13H2,1-2H3,(H,19,21)
InChIKeyXUTONCMTZTVOFA-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-[4-(3-hydroxyprop-1-ynyl)-3-methylphenyl]propanamide
CID 60803467
N-[4-(3-hydroxyprop-1-ynyl)-3-methylphenyl]-4-methylpentanamide
CID 54922812
N-[2-(3-hydroxyprop-1-ynyl)-5-methylphenyl]octanamide
CID 82746747
N-(3,4-dimethylphenyl)dodecanamide
CID 4067786
N-[3-(3-hydroxyprop-1-ynyl)phenyl]nonanamide
CID 65426940
N-(4-hydroxy-3-methylphenyl)tetradecanamide
CID 91054297
N-[5-(3-hydroxyprop-1-ynyl)-2-methylphenyl]octanamide
CID 60803826
N-[4-(icosanoylamino)phenyl]icosanamide
CID 101291044
N-[3-(3-aminoprop-1-ynyl)-4-chlorophenyl]heptanamide
CID 114753355
1-[4-(3-hydroxyprop-1-ynyl)-3-methylphenyl]-3-propan-2-ylurea
CID 60803087
N-[4-(3-aminoprop-1-ynyl)-3-methylphenyl]-3-propoxypropanamide
CID 62715474
N-[4-[2-[4-(dodecanoylamino)phenyl]ethynyl]phenyl]dodecanamide
CID 102416980

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-hydroxyprop-1-ynyl)-3-methylphenyl]octanamide?
The IUPAC name of N-[4-(3-hydroxyprop-1-ynyl)-3-methylphenyl]octanamide (CID 60803124) is N-[4-(3-hydroxyprop-1-ynyl)-3-methylphenyl]octanamide.
What is the SMILES notation for N-[4-(3-hydroxyprop-1-ynyl)-3-methylphenyl]octanamide?
The canonical SMILES for N-[4-(3-hydroxyprop-1-ynyl)-3-methylphenyl]octanamide is CCCCCCCC(=O)Nc1ccc(C#CCO)c(C)c1.
What is the InChIKey of N-[4-(3-hydroxyprop-1-ynyl)-3-methylphenyl]octanamide?
The InChIKey is XUTONCMTZTVOFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO2/c1-3-4-5-6-7-10-18(21)19-17-12-11-16(9-8-13-20)15(2)14-17/h11-12,14,20H,3-7,10,13H2,1-2H3,(H,19,21).
What are the key properties of N-[4-(3-hydroxyprop-1-ynyl)-3-methylphenyl]octanamide?
N-[4-(3-hydroxyprop-1-ynyl)-3-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-[4-(3-hydroxyprop-1-ynyl)-3-methylphenyl]octanamide is sourced from PubChem (CID 60803124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).