azacyclotetracosan-2-one

C23H45NO — CID 102100276

IUPACazacyclotetracosan-2-one
SMILESO=C1CCCCCCCCCCCCCCCCCCCCCCN1
InChIInChI=1S/C23H45NO/c25-23-21-19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20-22-24-23/h1-22H2,(H,24,25)
InChIKeyBYTBBWSFHKGQSR-UHFFFAOYSA-N
MW351.62 g/mol
LogP7.31
Rot. Bonds

About azacyclotetracosan-2-one

azacyclotetracosan-2-one (PubChem CID 102100276) has the molecular formula C23H45NO and a molecular weight of 351.62 g/mol. Its IUPAC name is azacyclotetracosan-2-one.

Molecular Properties

Compound Nameazacyclotetracosan-2-one
PubChem CID102100276
Molecular FormulaC23H45NO
Molecular Weight351.62 g/mol
Exact Mass351.35
IUPAC Nameazacyclotetracosan-2-one
SMILESO=C1CCCCCCCCCCCCCCCCCCCCCCN1
InChIInChI=1S/C23H45NO/c25-23-21-19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20-22-24-23/h1-22H2,(H,24,25)
InChIKeyBYTBBWSFHKGQSR-UHFFFAOYSA-N
XLogP7.31
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.62
LogP ≤ 57.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of azacyclotetracosan-2-one?
The IUPAC name of azacyclotetracosan-2-one (CID 102100276) is azacyclotetracosan-2-one.
What is the SMILES notation for azacyclotetracosan-2-one?
The canonical SMILES for azacyclotetracosan-2-one is O=C1CCCCCCCCCCCCCCCCCCCCCCN1.
What is the InChIKey of azacyclotetracosan-2-one?
The InChIKey is BYTBBWSFHKGQSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H45NO/c25-23-21-19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20-22-24-23/h1-22H2,(H,24,25).
What are the key properties of azacyclotetracosan-2-one?
azacyclotetracosan-2-one has a molecular weight of 351.62 g/mol, XLogP of 7.31, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for azacyclotetracosan-2-one is sourced from PubChem (CID 102100276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).