CID 59905343

C26H48N3O2 — CID 59905343

IUPAC—
SMILESCCCCCCC1C=C(CCCCCCCC(=O)N(CC[NH])CCN)CC(C(C)=O)C1
InChIInChI=1S/C26H48N3O2/c1-3-4-5-9-12-23-19-24(21-25(20-23)22(2)30)13-10-7-6-8-11-14-26(31)29(17-15-27)18-16-28/h19,23,25,27H,3-18,20-21,28H2,1-2H3
InChIKeyPJKNDLPJGIZMMD-UHFFFAOYSA-N
MW434.69 g/mol
LogP5.30
Rot. Bonds18

About CID 59905343

CID 59905343 (PubChem CID 59905343) has the molecular formula C26H48N3O2 and a molecular weight of 434.69 g/mol.

Molecular Properties

Compound NameCID 59905343
PubChem CID59905343
Molecular FormulaC26H48N3O2
Molecular Weight434.69 g/mol
Exact Mass434.37
IUPAC Name—
SMILESCCCCCCC1C=C(CCCCCCCC(=O)N(CC[NH])CCN)CC(C(C)=O)C1
InChIInChI=1S/C26H48N3O2/c1-3-4-5-9-12-23-19-24(21-25(20-23)22(2)30)13-10-7-6-8-11-14-26(31)29(17-15-27)18-16-28/h19,23,25,27H,3-18,20-21,28H2,1-2H3
InChIKeyPJKNDLPJGIZMMD-UHFFFAOYSA-N
XLogP5.30
TPSA87.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds18
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.69
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 59905343?
The IUPAC name of CID 59905343 (CID 59905343) is not available.
What is the SMILES notation for CID 59905343?
The canonical SMILES for CID 59905343 is CCCCCCC1C=C(CCCCCCCC(=O)N(CC[NH])CCN)CC(C(C)=O)C1.
What is the InChIKey of CID 59905343?
The InChIKey is PJKNDLPJGIZMMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H48N3O2/c1-3-4-5-9-12-23-19-24(21-25(20-23)22(2)30)13-10-7-6-8-11-14-26(31)29(17-15-27)18-16-28/h19,23,25,27H,3-18,20-21,28H2,1-2H3.
What are the key properties of CID 59905343?
CID 59905343 has a molecular weight of 434.69 g/mol, XLogP of 5.30, 18 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59905343 is sourced from PubChem (CID 59905343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).