N-cyclooctylbutanamide

C12H23NO — CID 4614062

IUPACN-cyclooctylbutanamide
SMILESCCCC(=O)NC1CCCCCCC1
InChIInChI=1S/C12H23NO/c1-2-8-12(14)13-11-9-6-4-3-5-7-10-11/h11H,2-10H2,1H3,(H,13,14)
InChIKeyNEOYBSAUXDUYGS-UHFFFAOYSA-N
MW197.32 g/mol
LogP3.02
Rot. Bonds3

About N-cyclooctylbutanamide

N-cyclooctylbutanamide (PubChem CID 4614062) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is N-cyclooctylbutanamide.

Molecular Properties

Compound NameN-cyclooctylbutanamide
PubChem CID4614062
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC NameN-cyclooctylbutanamide
SMILESCCCC(=O)NC1CCCCCCC1
InChIInChI=1S/C12H23NO/c1-2-8-12(14)13-11-9-6-4-3-5-7-10-11/h11H,2-10H2,1H3,(H,13,14)
InChIKeyNEOYBSAUXDUYGS-UHFFFAOYSA-N
XLogP3.02
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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N-cyclooctylpropanamide
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N-cycloheptyl-N'-cyclopentylpropanediamide
CID 108942189
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4-(cycloheptylamino)-4-oxobutanoic acid
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CID 67041463

Frequently Asked Questions

What is the IUPAC name of N-cyclooctylbutanamide?
The IUPAC name of N-cyclooctylbutanamide (CID 4614062) is N-cyclooctylbutanamide.
What is the SMILES notation for N-cyclooctylbutanamide?
The canonical SMILES for N-cyclooctylbutanamide is CCCC(=O)NC1CCCCCCC1.
What is the InChIKey of N-cyclooctylbutanamide?
The InChIKey is NEOYBSAUXDUYGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-2-8-12(14)13-11-9-6-4-3-5-7-10-11/h11H,2-10H2,1H3,(H,13,14).
What are the key properties of N-cyclooctylbutanamide?
N-cyclooctylbutanamide has a molecular weight of 197.32 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclooctylbutanamide is sourced from PubChem (CID 4614062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).