N-butan-2-ylcyclooctanecarboxamide

C13H25NO — CID 65022908

IUPACN-butan-2-ylcyclooctanecarboxamide
SMILESCCC(C)NC(=O)C1CCCCCCC1
InChIInChI=1S/C13H25NO/c1-3-11(2)14-13(15)12-9-7-5-4-6-8-10-12/h11-12H,3-10H2,1-2H3,(H,14,15)
InChIKeyVWOYUVDJHHFOIN-UHFFFAOYSA-N
MW211.35 g/mol
LogP3.26
Rot. Bonds3

About N-butan-2-ylcyclooctanecarboxamide

N-butan-2-ylcyclooctanecarboxamide (PubChem CID 65022908) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is N-butan-2-ylcyclooctanecarboxamide.

Molecular Properties

Compound NameN-butan-2-ylcyclooctanecarboxamide
PubChem CID65022908
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC NameN-butan-2-ylcyclooctanecarboxamide
SMILESCCC(C)NC(=O)C1CCCCCCC1
InChIInChI=1S/C13H25NO/c1-3-11(2)14-13(15)12-9-7-5-4-6-8-10-12/h11-12H,3-10H2,1-2H3,(H,14,15)
InChIKeyVWOYUVDJHHFOIN-UHFFFAOYSA-N
XLogP3.26
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 19916603
N-hexan-2-ylcyclohexanecarboxamide
CID 174494551
(3R)-3-(cyclohexanecarbonylamino)butanoic acid
CID 51885508
N-heptan-2-ylcyclopentanecarboxamide
CID 5012700
N-(5-aminohexan-2-yl)cyclohexanecarboxamide
CID 134308456
N-[(2S)-1-[(R)-methylsulfinyl]propan-2-yl]cycloheptanecarboxamide
CID 97351327
N-[2-(butan-2-ylamino)-2-oxoethyl]cyclobutanecarboxamide
CID 112990807
N-(1-hydroxypropan-2-yl)cyclobutanecarboxamide
CID 43418906
3-N-butan-2-yl-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide
CID 60756324
N-[(2S)-1-hydroxybutan-2-yl]cyclohexanecarboxamide
CID 854995
N-pent-4-yn-2-ylcyclopentanecarboxamide
CID 115661776
molecular hydrogen;N-propan-2-ylcyclohexanecarboxamide
CID 165395427

Frequently Asked Questions

What is the IUPAC name of N-butan-2-ylcyclooctanecarboxamide?
The IUPAC name of N-butan-2-ylcyclooctanecarboxamide (CID 65022908) is N-butan-2-ylcyclooctanecarboxamide.
What is the SMILES notation for N-butan-2-ylcyclooctanecarboxamide?
The canonical SMILES for N-butan-2-ylcyclooctanecarboxamide is CCC(C)NC(=O)C1CCCCCCC1.
What is the InChIKey of N-butan-2-ylcyclooctanecarboxamide?
The InChIKey is VWOYUVDJHHFOIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-3-11(2)14-13(15)12-9-7-5-4-6-8-10-12/h11-12H,3-10H2,1-2H3,(H,14,15).
What are the key properties of N-butan-2-ylcyclooctanecarboxamide?
N-butan-2-ylcyclooctanecarboxamide has a molecular weight of 211.35 g/mol, XLogP of 3.26, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-ylcyclooctanecarboxamide is sourced from PubChem (CID 65022908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).