ethylboronic acid;2-ethylnonanamide

C13H30BNO3 — CID 175360947

IUPACethylboronic acid;2-ethylnonanamide
SMILESCCB(O)O.CCCCCCCC(CC)C(N)=O
InChIInChI=1S/C11H23NO.C2H7BO2/c1-3-5-6-7-8-9-10(4-2)11(12)13;1-2-3(4)5/h10H,3-9H2,1-2H3,(H2,12,13);4-5H,2H2,1H3
InChIKeyFFNVPZOKHNRTEH-UHFFFAOYSA-N
MW259.20 g/mol
LogP2.34
Rot. Bonds9

About ethylboronic acid;2-ethylnonanamide

ethylboronic acid;2-ethylnonanamide (PubChem CID 175360947) has the molecular formula C13H30BNO3 and a molecular weight of 259.20 g/mol. Its IUPAC name is ethylboronic acid;2-ethylnonanamide.

Molecular Properties

Compound Nameethylboronic acid;2-ethylnonanamide
PubChem CID175360947
Molecular FormulaC13H30BNO3
Molecular Weight259.20 g/mol
Exact Mass259.23
IUPAC Nameethylboronic acid;2-ethylnonanamide
SMILESCCB(O)O.CCCCCCCC(CC)C(N)=O
InChIInChI=1S/C11H23NO.C2H7BO2/c1-3-5-6-7-8-9-10(4-2)11(12)13;1-2-3(4)5/h10H,3-9H2,1-2H3,(H2,12,13);4-5H,2H2,1H3
InChIKeyFFNVPZOKHNRTEH-UHFFFAOYSA-N
XLogP2.34
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.20
LogP ≤ 52.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

azane;2-ethyldodecanamide
CID 174462460
2-ethylhexadecanamide;octadecanamide
CID 159948815
2-ethyloctadecanamide;hexadecanamide
CID 174921591
2-hexyloctanamide
CID 87302701
2-octyldecanamide
CID 19104479
2-dodecylnonadecanamide
CID 175503182
2-ethyldocos-13-enamide
CID 173006662
2-ethyloctadec-9-enamide
CID 160810733
2-butyltetradecanamide
CID 57191211
2-butyldodecanamide
CID 88685822
ethene;2-hexadecyloctadecanamide
CID 87836706
lithium;2-ethylhexanamide;hydride
CID 173043498

Frequently Asked Questions

What is the IUPAC name of ethylboronic acid;2-ethylnonanamide?
The IUPAC name of ethylboronic acid;2-ethylnonanamide (CID 175360947) is ethylboronic acid;2-ethylnonanamide.
What is the SMILES notation for ethylboronic acid;2-ethylnonanamide?
The canonical SMILES for ethylboronic acid;2-ethylnonanamide is CCB(O)O.CCCCCCCC(CC)C(N)=O.
What is the InChIKey of ethylboronic acid;2-ethylnonanamide?
The InChIKey is FFNVPZOKHNRTEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO.C2H7BO2/c1-3-5-6-7-8-9-10(4-2)11(12)13;1-2-3(4)5/h10H,3-9H2,1-2H3,(H2,12,13);4-5H,2H2,1H3.
What are the key properties of ethylboronic acid;2-ethylnonanamide?
ethylboronic acid;2-ethylnonanamide has a molecular weight of 259.20 g/mol, XLogP of 2.34, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethylboronic acid;2-ethylnonanamide is sourced from PubChem (CID 175360947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).