ethanol;tridecanamide

C15H33NO2 — CID 174935457

IUPACethanol;tridecanamide
SMILESCCCCCCCCCCCCC(N)=O.CCO
InChIInChI=1S/C13H27NO.C2H6O/c1-2-3-4-5-6-7-8-9-10-11-12-13(14)15;1-2-3/h2-12H2,1H3,(H2,14,15);3H,2H2,1H3
InChIKeyLMCSDFSKNAIDNE-UHFFFAOYSA-N
MW259.43 g/mol
LogP3.78
Rot. Bonds11

About ethanol;tridecanamide

ethanol;tridecanamide (PubChem CID 174935457) has the molecular formula C15H33NO2 and a molecular weight of 259.43 g/mol. Its IUPAC name is ethanol;tridecanamide.

Molecular Properties

Compound Nameethanol;tridecanamide
PubChem CID174935457
Molecular FormulaC15H33NO2
Molecular Weight259.43 g/mol
Exact Mass259.25
IUPAC Nameethanol;tridecanamide
SMILESCCCCCCCCCCCCC(N)=O.CCO
InChIInChI=1S/C13H27NO.C2H6O/c1-2-3-4-5-6-7-8-9-10-11-12-13(14)15;1-2-3/h2-12H2,1H3,(H2,14,15);3H,2H2,1H3
InChIKeyLMCSDFSKNAIDNE-UHFFFAOYSA-N
XLogP3.78
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.43
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

tetradecanamide
CID 175692014
nonacosanamide
CID 21105912
tetrapentacontanamide
CID 139682680
octadecanamide;hydrochloride
CID 87891779
octadecanamide;zinc
CID 87169213
butane;octanamide
CID 87511414
CID 87899207
CID 87899207
2-aminoethanol;icosanamide
CID 157409605
acetamide;decanamide;dihydrochloride
CID 141131942
dodecanamide;N-methylmethanamine
CID 159337435
ethane-1,2-diamine;bis(octadecanamide)
CID 22256983
potassium;hexanamide;hydride
CID 173117462

Frequently Asked Questions

What is the IUPAC name of ethanol;tridecanamide?
The IUPAC name of ethanol;tridecanamide (CID 174935457) is ethanol;tridecanamide.
What is the SMILES notation for ethanol;tridecanamide?
The canonical SMILES for ethanol;tridecanamide is CCCCCCCCCCCCC(N)=O.CCO.
What is the InChIKey of ethanol;tridecanamide?
The InChIKey is LMCSDFSKNAIDNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO.C2H6O/c1-2-3-4-5-6-7-8-9-10-11-12-13(14)15;1-2-3/h2-12H2,1H3,(H2,14,15);3H,2H2,1H3.
What are the key properties of ethanol;tridecanamide?
ethanol;tridecanamide has a molecular weight of 259.43 g/mol, XLogP of 3.78, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethanol;tridecanamide is sourced from PubChem (CID 174935457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).