N-(1-cyanocyclooctyl)-4-methoxybutanamide

C14H24N2O2 — CID 112731248

IUPACN-(1-cyanocyclooctyl)-4-methoxybutanamide
SMILESCOCCCC(=O)NC1(C#N)CCCCCCC1
InChIInChI=1S/C14H24N2O2/c1-18-11-7-8-13(17)16-14(12-15)9-5-3-2-4-6-10-14/h2-11H2,1H3,(H,16,17)
InChIKeyRKVROOHLEDMOIP-UHFFFAOYSA-N
MW252.36 g/mol
LogP2.54
Rot. Bonds5

About N-(1-cyanocyclooctyl)-4-methoxybutanamide

N-(1-cyanocyclooctyl)-4-methoxybutanamide (PubChem CID 112731248) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is N-(1-cyanocyclooctyl)-4-methoxybutanamide.

Molecular Properties

Compound NameN-(1-cyanocyclooctyl)-4-methoxybutanamide
PubChem CID112731248
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC NameN-(1-cyanocyclooctyl)-4-methoxybutanamide
SMILESCOCCCC(=O)NC1(C#N)CCCCCCC1
InChIInChI=1S/C14H24N2O2/c1-18-11-7-8-13(17)16-14(12-15)9-5-3-2-4-6-10-14/h2-11H2,1H3,(H,16,17)
InChIKeyRKVROOHLEDMOIP-UHFFFAOYSA-N
XLogP2.54
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(1-cyanocyclooctyl)hexanamide
CID 54904747
methyl 4-[(1-cyanocyclohexyl)amino]-4-oxobutanoate
CID 95453797
N-(1-cyanocyclooctyl)octanamide
CID 60968683
N-(1-cyanocyclopentyl)-2-methoxyacetamide
CID 60724698
N-(1-cyanocycloheptyl)-3-ethoxypropanamide
CID 62591017
N-(1-cyanocyclooctyl)-3-methylsulfanylpropanamide
CID 60968545
N-(1-cyanocyclopentyl)-4-phenoxybutanamide
CID 86978972
4-[(1-cyanocyclohexyl)amino]-4-oxobutanoic acid
CID 82287344
N-(1-cyanocyclopentyl)propanamide
CID 55029198
N-(1-cyano-4-ethylcyclohexyl)-3-methoxypropanamide
CID 62589490
2-bromo-N-(1-cyanocycloheptyl)acetamide
CID 63680243
methyl 2-[[2-[(1-cyanocyclohexyl)amino]-2-oxoethyl]-methylamino]acetate
CID 60660513

Frequently Asked Questions

What is the IUPAC name of N-(1-cyanocyclooctyl)-4-methoxybutanamide?
The IUPAC name of N-(1-cyanocyclooctyl)-4-methoxybutanamide (CID 112731248) is N-(1-cyanocyclooctyl)-4-methoxybutanamide.
What is the SMILES notation for N-(1-cyanocyclooctyl)-4-methoxybutanamide?
The canonical SMILES for N-(1-cyanocyclooctyl)-4-methoxybutanamide is COCCCC(=O)NC1(C#N)CCCCCCC1.
What is the InChIKey of N-(1-cyanocyclooctyl)-4-methoxybutanamide?
The InChIKey is RKVROOHLEDMOIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-18-11-7-8-13(17)16-14(12-15)9-5-3-2-4-6-10-14/h2-11H2,1H3,(H,16,17).
What are the key properties of N-(1-cyanocyclooctyl)-4-methoxybutanamide?
N-(1-cyanocyclooctyl)-4-methoxybutanamide has a molecular weight of 252.36 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanocyclooctyl)-4-methoxybutanamide is sourced from PubChem (CID 112731248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).