CID 59905341

C23H43N4O2 — CID 59905341

IUPAC—
SMILESCC(=O)C1CC(CCCCCCCC(=O)N(CC[NH])CCNCCN)=CC(C)C1
InChIInChI=1S/C23H43N4O2/c1-19-16-21(18-22(17-19)20(2)28)8-6-4-3-5-7-9-23(29)27(14-11-25)15-13-26-12-10-24/h16,19,22,25-26H,3-15,17-18,24H2,1-2H3
InChIKeyUEFGUSAVLVLYFL-UHFFFAOYSA-N
MW407.62 g/mol
LogP2.94
Rot. Bonds16

About CID 59905341

CID 59905341 (PubChem CID 59905341) has the molecular formula C23H43N4O2 and a molecular weight of 407.62 g/mol.

Molecular Properties

Compound NameCID 59905341
PubChem CID59905341
Molecular FormulaC23H43N4O2
Molecular Weight407.62 g/mol
Exact Mass407.34
IUPAC Name—
SMILESCC(=O)C1CC(CCCCCCCC(=O)N(CC[NH])CCNCCN)=CC(C)C1
InChIInChI=1S/C23H43N4O2/c1-19-16-21(18-22(17-19)20(2)28)8-6-4-3-5-7-9-23(29)27(14-11-25)15-13-26-12-10-24/h16,19,22,25-26H,3-15,17-18,24H2,1-2H3
InChIKeyUEFGUSAVLVLYFL-UHFFFAOYSA-N
XLogP2.94
TPSA99.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.62
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 59905341?
The IUPAC name of CID 59905341 (CID 59905341) is not available.
What is the SMILES notation for CID 59905341?
The canonical SMILES for CID 59905341 is CC(=O)C1CC(CCCCCCCC(=O)N(CC[NH])CCNCCN)=CC(C)C1.
What is the InChIKey of CID 59905341?
The InChIKey is UEFGUSAVLVLYFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H43N4O2/c1-19-16-21(18-22(17-19)20(2)28)8-6-4-3-5-7-9-23(29)27(14-11-25)15-13-26-12-10-24/h16,19,22,25-26H,3-15,17-18,24H2,1-2H3.
What are the key properties of CID 59905341?
CID 59905341 has a molecular weight of 407.62 g/mol, XLogP of 2.94, 16 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59905341 is sourced from PubChem (CID 59905341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).