N'-octylhexanediamide

C14H28N2O2 — CID 18377759

IUPACN'-octylhexanediamide
SMILESCCCCCCCCNC(=O)CCCCC(N)=O
InChIInChI=1S/C14H28N2O2/c1-2-3-4-5-6-9-12-16-14(18)11-8-7-10-13(15)17/h2-12H2,1H3,(H2,15,17)(H,16,18)
InChIKeyNCUPDONBMBXZSQ-UHFFFAOYSA-N
MW256.39 g/mol
LogP2.51
Rot. Bonds12

About N'-octylhexanediamide

N'-octylhexanediamide (PubChem CID 18377759) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is N'-octylhexanediamide.

Molecular Properties

Compound NameN'-octylhexanediamide
PubChem CID18377759
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC NameN'-octylhexanediamide
SMILESCCCCCCCCNC(=O)CCCCC(N)=O
InChIInChI=1S/C14H28N2O2/c1-2-3-4-5-6-9-12-16-14(18)11-8-7-10-13(15)17/h2-12H2,1H3,(H2,15,17)(H,16,18)
InChIKeyNCUPDONBMBXZSQ-UHFFFAOYSA-N
XLogP2.51
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N'-docosyldocosanediamide
CID 91257562
hexadecanamide;N-octadecyloctadecanamide
CID 174792473
22-(docosanoylamino)docosanamide
CID 90926402
N'-heptylundecanediamide;propanoic acid
CID 175230905
N'-dodecylbutanediamide
CID 19973702
N'-icosylbutanediamide
CID 175408923
N-(3-amino-3-oxopropyl)octadecanamide
CID 57257667
N-[7-(dodecanoylamino)heptyl]dodecanamide
CID 4580774
N-[4-(heptanoylamino)butyl]heptanamide
CID 3363703
N-hexadecylhexanamide
CID 4953738
N-[8-(heptanoylamino)octyl]heptanamide
CID 3252783
N-octadecyloctanamide
CID 5161729

Frequently Asked Questions

What is the IUPAC name of N'-octylhexanediamide?
The IUPAC name of N'-octylhexanediamide (CID 18377759) is N'-octylhexanediamide.
What is the SMILES notation for N'-octylhexanediamide?
The canonical SMILES for N'-octylhexanediamide is CCCCCCCCNC(=O)CCCCC(N)=O.
What is the InChIKey of N'-octylhexanediamide?
The InChIKey is NCUPDONBMBXZSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-2-3-4-5-6-9-12-16-14(18)11-8-7-10-13(15)17/h2-12H2,1H3,(H2,15,17)(H,16,18).
What are the key properties of N'-octylhexanediamide?
N'-octylhexanediamide has a molecular weight of 256.39 g/mol, XLogP of 2.51, 12 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-octylhexanediamide is sourced from PubChem (CID 18377759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).