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

C18H26N2O — CID 82750402

IUPACN-[2-(3-aminoprop-1-ynyl)-5-methylphenyl]octanamide
SMILESCCCCCCCC(=O)Nc1cc(C)ccc1C#CCN
InChIInChI=1S/C18H26N2O/c1-3-4-5-6-7-10-18(21)20-17-14-15(2)11-12-16(17)9-8-13-19/h11-12,14H,3-7,10,13,19H2,1-2H3,(H,20,21)
InChIKeyYHXMLQIHKPRTJA-UHFFFAOYSA-N
MW286.42 g/mol
LogP3.60
Rot. Bonds7

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

N-[2-(3-aminoprop-1-ynyl)-5-methylphenyl]octanamide (PubChem CID 82750402) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is N-[2-(3-aminoprop-1-ynyl)-5-methylphenyl]octanamide.

Molecular Properties

Compound NameN-[2-(3-aminoprop-1-ynyl)-5-methylphenyl]octanamide
PubChem CID82750402
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC NameN-[2-(3-aminoprop-1-ynyl)-5-methylphenyl]octanamide
SMILESCCCCCCCC(=O)Nc1cc(C)ccc1C#CCN
InChIInChI=1S/C18H26N2O/c1-3-4-5-6-7-10-18(21)20-17-14-15(2)11-12-16(17)9-8-13-19/h11-12,14H,3-7,10,13,19H2,1-2H3,(H,20,21)
InChIKeyYHXMLQIHKPRTJA-UHFFFAOYSA-N
XLogP3.60
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 53.60
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]heptanamide
CID 114753360
N-[2-(3-hydroxyprop-1-ynyl)-5-methylphenyl]octanamide
CID 82746747
N-(2-amino-5-methylphenyl)heptanamide
CID 114752035
N-(2-bromo-5-methylphenyl)decanamide
CID 82757665
N-[3-(3-aminoprop-1-ynyl)-4-chlorophenyl]heptanamide
CID 114753355
N-(2,5-dimethylphenyl)-4-oxo-4-(2-tetradecanoylhydrazinyl)butanamide
CID 54792025
N-(2-methoxy-5-methylphenyl)dodecanamide
CID 4196048
N-[2-(3-aminopropanoylamino)-4-methylphenyl]pentanamide
CID 82034599
N-[4-(3-aminoprop-1-ynyl)-2-pyridinyl]octanamide
CID 102821254
N-[2-(3-aminoprop-1-ynyl)-5-methylphenyl]-1-ethylcyclopentane-1-carboxamide
CID 82750507
N-[2-(3-hydroxyprop-1-ynyl)-5-methylphenyl]-4-methylpentanamide
CID 82766423
N-[2-(3-aminoprop-1-ynyl)-5-methylphenyl]propane-1-sulfonamide
CID 82766679

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-aminoprop-1-ynyl)-5-methylphenyl]octanamide?
The IUPAC name of N-[2-(3-aminoprop-1-ynyl)-5-methylphenyl]octanamide (CID 82750402) is N-[2-(3-aminoprop-1-ynyl)-5-methylphenyl]octanamide.
What is the SMILES notation for N-[2-(3-aminoprop-1-ynyl)-5-methylphenyl]octanamide?
The canonical SMILES for N-[2-(3-aminoprop-1-ynyl)-5-methylphenyl]octanamide is CCCCCCCC(=O)Nc1cc(C)ccc1C#CCN.
What is the InChIKey of N-[2-(3-aminoprop-1-ynyl)-5-methylphenyl]octanamide?
The InChIKey is YHXMLQIHKPRTJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O/c1-3-4-5-6-7-10-18(21)20-17-14-15(2)11-12-16(17)9-8-13-19/h11-12,14H,3-7,10,13,19H2,1-2H3,(H,20,21).
What are the key properties of N-[2-(3-aminoprop-1-ynyl)-5-methylphenyl]octanamide?
N-[2-(3-aminoprop-1-ynyl)-5-methylphenyl]octanamide has a molecular weight of 286.42 g/mol, XLogP of 3.60, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-aminoprop-1-ynyl)-5-methylphenyl]octanamide is sourced from PubChem (CID 82750402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).