butane;octanamide

C12H27NO — CID 87511414

IUPACbutane;octanamide
SMILESCCCC.CCCCCCCC(N)=O
InChIInChI=1S/C8H17NO.C4H10/c1-2-3-4-5-6-7-8(9)10;1-3-4-2/h2-7H2,1H3,(H2,9,10);3-4H2,1-2H3
InChIKeyFCBBEMCCYWVQIE-UHFFFAOYSA-N
MW201.35 g/mol
LogP3.64
Rot. Bonds7

About butane;octanamide

butane;octanamide (PubChem CID 87511414) has the molecular formula C12H27NO and a molecular weight of 201.35 g/mol. Its IUPAC name is butane;octanamide.

Molecular Properties

Compound Namebutane;octanamide
PubChem CID87511414
Molecular FormulaC12H27NO
Molecular Weight201.35 g/mol
Exact Mass201.21
IUPAC Namebutane;octanamide
SMILESCCCC.CCCCCCCC(N)=O
InChIInChI=1S/C8H17NO.C4H10/c1-2-3-4-5-6-7-8(9)10;1-3-4-2/h2-7H2,1H3,(H2,9,10);3-4H2,1-2H3
InChIKeyFCBBEMCCYWVQIE-UHFFFAOYSA-N
XLogP3.64
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.35
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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nonacosanamide
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tetrapentacontanamide
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octadecanamide;hydrochloride
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octadecanamide;zinc
CID 87169213
ethanol;tridecanamide
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CID 87899207
CID 87899207
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CID 22256983
dodecanamide;N-methylmethanamine
CID 159337435
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CID 141131942
potassium;hexanamide;hydride
CID 173117462
octadecanamide;bis(propan-2-ol)
CID 90014672

Frequently Asked Questions

What is the IUPAC name of butane;octanamide?
The IUPAC name of butane;octanamide (CID 87511414) is butane;octanamide.
What is the SMILES notation for butane;octanamide?
The canonical SMILES for butane;octanamide is CCCC.CCCCCCCC(N)=O.
What is the InChIKey of butane;octanamide?
The InChIKey is FCBBEMCCYWVQIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO.C4H10/c1-2-3-4-5-6-7-8(9)10;1-3-4-2/h2-7H2,1H3,(H2,9,10);3-4H2,1-2H3.
What are the key properties of butane;octanamide?
butane;octanamide has a molecular weight of 201.35 g/mol, XLogP of 3.64, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for butane;octanamide is sourced from PubChem (CID 87511414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).