N-[5-(2-methylbutanoyl)cyclooctyl]formamide

C14H25NO2 — CID 170223710

IUPACN-[5-(2-methylbutanoyl)cyclooctyl]formamide
SMILESCCC(C)C(=O)C1CCCC(NC=O)CCC1
InChIInChI=1S/C14H25NO2/c1-3-11(2)14(17)12-6-4-8-13(15-10-16)9-5-7-12/h10-13H,3-9H2,1-2H3,(H,15,16)
InChIKeyWNKWSFQQJNCQPB-UHFFFAOYSA-N
MW239.36 g/mol
LogP2.69
Rot. Bonds5

About N-[5-(2-methylbutanoyl)cyclooctyl]formamide

N-[5-(2-methylbutanoyl)cyclooctyl]formamide (PubChem CID 170223710) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is N-[5-(2-methylbutanoyl)cyclooctyl]formamide.

Molecular Properties

Compound NameN-[5-(2-methylbutanoyl)cyclooctyl]formamide
PubChem CID170223710
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC NameN-[5-(2-methylbutanoyl)cyclooctyl]formamide
SMILESCCC(C)C(=O)C1CCCC(NC=O)CCC1
InChIInChI=1S/C14H25NO2/c1-3-11(2)14(17)12-6-4-8-13(15-10-16)9-5-7-12/h10-13H,3-9H2,1-2H3,(H,15,16)
InChIKeyWNKWSFQQJNCQPB-UHFFFAOYSA-N
XLogP2.69
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-cyclobutyl-2-methylbutan-1-one
CID 79446135
(2S)-1-cyclobutyl-2-methylbutan-1-one
CID 142214969
N-cyclobutylformamide;methanol
CID 142523729
(2R)-N-cyclobutyl-2-methylbutanamide
CID 129182523
N-cyclopentyl-2-methylbutanamide;methane
CID 159941857
N-cyclohexylformamide;ethane
CID 143536975
2-methyl-1-[3-(propylamino)cyclohexyl]propan-1-one
CID 57325217
2-methyl-1-[4-(trifluoromethyl)cyclohexyl]butan-1-one
CID 105119465
1,3-di(cyclobutyl)-2-methylpropane-1,3-dione
CID 165484396
N-(3-butan-2-yl-4-formylcyclohexyl)formamide
CID 88914681
1-[4-(cyclobutylamino)piperidin-1-yl]-2-methylpentan-1-one
CID 165457617
1-cyclopentyl-2-ethyl-3-methylbutan-1-one
CID 134474647

Frequently Asked Questions

What is the IUPAC name of N-[5-(2-methylbutanoyl)cyclooctyl]formamide?
The IUPAC name of N-[5-(2-methylbutanoyl)cyclooctyl]formamide (CID 170223710) is N-[5-(2-methylbutanoyl)cyclooctyl]formamide.
What is the SMILES notation for N-[5-(2-methylbutanoyl)cyclooctyl]formamide?
The canonical SMILES for N-[5-(2-methylbutanoyl)cyclooctyl]formamide is CCC(C)C(=O)C1CCCC(NC=O)CCC1.
What is the InChIKey of N-[5-(2-methylbutanoyl)cyclooctyl]formamide?
The InChIKey is WNKWSFQQJNCQPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO2/c1-3-11(2)14(17)12-6-4-8-13(15-10-16)9-5-7-12/h10-13H,3-9H2,1-2H3,(H,15,16).
What are the key properties of N-[5-(2-methylbutanoyl)cyclooctyl]formamide?
N-[5-(2-methylbutanoyl)cyclooctyl]formamide has a molecular weight of 239.36 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-methylbutanoyl)cyclooctyl]formamide is sourced from PubChem (CID 170223710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).