N-(4-cyanobutyl)octanamide

C13H24N2O — CID 63284822

IUPACN-(4-cyanobutyl)octanamide
SMILESCCCCCCCC(=O)NCCCCC#N
InChIInChI=1S/C13H24N2O/c1-2-3-4-5-7-10-13(16)15-12-9-6-8-11-14/h2-10,12H2,1H3,(H,15,16)
InChIKeyZQYDZCKTXQACSG-UHFFFAOYSA-N
MW224.35 g/mol
LogP3.16
Rot. Bonds10

About N-(4-cyanobutyl)octanamide

N-(4-cyanobutyl)octanamide (PubChem CID 63284822) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is N-(4-cyanobutyl)octanamide.

Molecular Properties

Compound NameN-(4-cyanobutyl)octanamide
PubChem CID63284822
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC NameN-(4-cyanobutyl)octanamide
SMILESCCCCCCCC(=O)NCCCCC#N
InChIInChI=1S/C13H24N2O/c1-2-3-4-5-7-10-13(16)15-12-9-6-8-11-14/h2-10,12H2,1H3,(H,15,16)
InChIKeyZQYDZCKTXQACSG-UHFFFAOYSA-N
XLogP3.16
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[8-(heptanoylamino)octyl]heptanamide
CID 3252783
N-octadecyloctanamide
CID 5161729
N-[4-(heptanoylamino)butyl]heptanamide
CID 3363703
N-[6-(pentadecanoylamino)hexyl]pentadecanamide
CID 102117556
N-dodecylhexanamide
CID 3362981
N,N'-dihexadecyldecanediamide
CID 17080069
N-[8-(dodecanoylamino)octyl]dodecanamide
CID 3273664
N-tetradecyloctanamide
CID 151737522
N-[6-(tricosanoylamino)hexyl]tricosanamide
CID 102117558
N-nonyltridecanamide
CID 154228217
N-pentylicosanamide
CID 139961886
N-hexadecylhexanamide
CID 4953738

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanobutyl)octanamide?
The IUPAC name of N-(4-cyanobutyl)octanamide (CID 63284822) is N-(4-cyanobutyl)octanamide.
What is the SMILES notation for N-(4-cyanobutyl)octanamide?
The canonical SMILES for N-(4-cyanobutyl)octanamide is CCCCCCCC(=O)NCCCCC#N.
What is the InChIKey of N-(4-cyanobutyl)octanamide?
The InChIKey is ZQYDZCKTXQACSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c1-2-3-4-5-7-10-13(16)15-12-9-6-8-11-14/h2-10,12H2,1H3,(H,15,16).
What are the key properties of N-(4-cyanobutyl)octanamide?
N-(4-cyanobutyl)octanamide has a molecular weight of 224.35 g/mol, XLogP of 3.16, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanobutyl)octanamide is sourced from PubChem (CID 63284822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).