CID 174062683

C24H41BNO2 — CID 174062683

IUPAC—
SMILESCC1=C(CC[B]C2CCCCCCCCCCCCCCC2)CC(=O)NC1=O
InChIInChI=1S/C24H41BNO2/c1-20-21(19-23(27)26-24(20)28)17-18-25-22-15-13-11-9-7-5-3-2-4-6-8-10-12-14-16-22/h22H,2-19H2,1H3,(H,26,27,28)
InChIKeyYHVXRJBUVJMFQJ-UHFFFAOYSA-N
MW386.41 g/mol
LogP6.52
Rot. Bonds4

About CID 174062683

CID 174062683 (PubChem CID 174062683) has the molecular formula C24H41BNO2 and a molecular weight of 386.41 g/mol.

Molecular Properties

Compound NameCID 174062683
PubChem CID174062683
Molecular FormulaC24H41BNO2
Molecular Weight386.41 g/mol
Exact Mass386.32
IUPAC Name—
SMILESCC1=C(CC[B]C2CCCCCCCCCCCCCCC2)CC(=O)NC1=O
InChIInChI=1S/C24H41BNO2/c1-20-21(19-23(27)26-24(20)28)17-18-25-22-15-13-11-9-7-5-3-2-4-6-8-10-12-14-16-22/h22H,2-19H2,1H3,(H,26,27,28)
InChIKeyYHVXRJBUVJMFQJ-UHFFFAOYSA-N
XLogP6.52
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.41
LogP ≤ 56.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 174062683?
The IUPAC name of CID 174062683 (CID 174062683) is not available.
What is the SMILES notation for CID 174062683?
The canonical SMILES for CID 174062683 is CC1=C(CC[B]C2CCCCCCCCCCCCCCC2)CC(=O)NC1=O.
What is the InChIKey of CID 174062683?
The InChIKey is YHVXRJBUVJMFQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H41BNO2/c1-20-21(19-23(27)26-24(20)28)17-18-25-22-15-13-11-9-7-5-3-2-4-6-8-10-12-14-16-22/h22H,2-19H2,1H3,(H,26,27,28).
What are the key properties of CID 174062683?
CID 174062683 has a molecular weight of 386.41 g/mol, XLogP of 6.52, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174062683 is sourced from PubChem (CID 174062683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).