N-hexyl-N-pyridin-4-yloctanamide

C19H32N2O — CID 102480897

IUPACN-hexyl-N-pyridin-4-yloctanamide
SMILESCCCCCCCC(=O)N(CCCCCC)c1ccncc1
InChIInChI=1S/C19H32N2O/c1-3-5-7-9-10-12-19(22)21(17-11-8-6-4-2)18-13-15-20-16-14-18/h13-16H,3-12,17H2,1-2H3
InChIKeyXDQFRNUGGWUBBS-UHFFFAOYSA-N
MW304.48 g/mol
LogP5.36
Rot. Bonds12

About N-hexyl-N-pyridin-4-yloctanamide

N-hexyl-N-pyridin-4-yloctanamide (PubChem CID 102480897) has the molecular formula C19H32N2O and a molecular weight of 304.48 g/mol. Its IUPAC name is N-hexyl-N-pyridin-4-yloctanamide.

Molecular Properties

Compound NameN-hexyl-N-pyridin-4-yloctanamide
PubChem CID102480897
Molecular FormulaC19H32N2O
Molecular Weight304.48 g/mol
Exact Mass304.25
IUPAC NameN-hexyl-N-pyridin-4-yloctanamide
SMILESCCCCCCCC(=O)N(CCCCCC)c1ccncc1
InChIInChI=1S/C19H32N2O/c1-3-5-7-9-10-12-19(22)21(17-11-8-6-4-2)18-13-15-20-16-14-18/h13-16H,3-12,17H2,1-2H3
InChIKeyXDQFRNUGGWUBBS-UHFFFAOYSA-N
XLogP5.36
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.48
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(N-octanoylanilino)propanoic acid
CID 60831115
N-ethyl-N-phenyloctadecanamide
CID 151424183
octyl(phenyl)carbamic acid
CID 54301990
N-(2-cyanoethyl)-N-phenyloctanamide
CID 43085178
5-amino-N-ethyl-N-pyridin-4-ylhexanamide
CID 106935326
1-pyridin-4-ylhexadecan-1-one
CID 102412701
3-bromo-N-ethyl-N-pyridin-4-ylpropanamide
CID 106934758
N-(4-methylphenyl)-N-octylcarbamate
CID 57360038
N-ethyl-N-(4-fluorophenyl)hexanamide
CID 78806862
(4-aminophenyl)-icosylcarbamic acid
CID 57279079
2-(N-heptanoyl-4-hydroxyanilino)acetic acid
CID 60832829
N-[3-(3-methylbutanoylamino)propyl]-N-phenyloctanamide
CID 42702502

Frequently Asked Questions

What is the IUPAC name of N-hexyl-N-pyridin-4-yloctanamide?
The IUPAC name of N-hexyl-N-pyridin-4-yloctanamide (CID 102480897) is N-hexyl-N-pyridin-4-yloctanamide.
What is the SMILES notation for N-hexyl-N-pyridin-4-yloctanamide?
The canonical SMILES for N-hexyl-N-pyridin-4-yloctanamide is CCCCCCCC(=O)N(CCCCCC)c1ccncc1.
What is the InChIKey of N-hexyl-N-pyridin-4-yloctanamide?
The InChIKey is XDQFRNUGGWUBBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2O/c1-3-5-7-9-10-12-19(22)21(17-11-8-6-4-2)18-13-15-20-16-14-18/h13-16H,3-12,17H2,1-2H3.
What are the key properties of N-hexyl-N-pyridin-4-yloctanamide?
N-hexyl-N-pyridin-4-yloctanamide has a molecular weight of 304.48 g/mol, XLogP of 5.36, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexyl-N-pyridin-4-yloctanamide is sourced from PubChem (CID 102480897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).