CID 24989229

C23H36N2O5 — CID 24989229

IUPAC—
SMILESO=C(CN1CCOCC1)NCC1CCC2(CC1)OOC1(O2)C2CC3CC(C2)CC1C3
InChIInChI=1S/C23H36N2O5/c26-21(15-25-5-7-27-8-6-25)24-14-16-1-3-22(4-2-16)28-23(30-29-22)19-10-17-9-18(12-19)13-20(23)11-17/h16-20H,1-15H2,(H,24,26)
InChIKeyDQGHXQSFERWATJ-UHFFFAOYSA-N
MW420.55 g/mol
LogP2.45
Rot. Bonds4

About CID 24989229

CID 24989229 (PubChem CID 24989229) has the molecular formula C23H36N2O5 and a molecular weight of 420.55 g/mol.

Molecular Properties

Compound NameCID 24989229
PubChem CID24989229
Molecular FormulaC23H36N2O5
Molecular Weight420.55 g/mol
Exact Mass420.26
IUPAC Name—
SMILESO=C(CN1CCOCC1)NCC1CCC2(CC1)OOC1(O2)C2CC3CC(C2)CC1C3
InChIInChI=1S/C23H36N2O5/c26-21(15-25-5-7-27-8-6-25)24-14-16-1-3-22(4-2-16)28-23(30-29-22)19-10-17-9-18(12-19)13-20(23)11-17/h16-20H,1-15H2,(H,24,26)
InChIKeyDQGHXQSFERWATJ-UHFFFAOYSA-N
XLogP2.45
TPSA69.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.55
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 24989229?
The IUPAC name of CID 24989229 (CID 24989229) is not available.
What is the SMILES notation for CID 24989229?
The canonical SMILES for CID 24989229 is O=C(CN1CCOCC1)NCC1CCC2(CC1)OOC1(O2)C2CC3CC(C2)CC1C3.
What is the InChIKey of CID 24989229?
The InChIKey is DQGHXQSFERWATJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H36N2O5/c26-21(15-25-5-7-27-8-6-25)24-14-16-1-3-22(4-2-16)28-23(30-29-22)19-10-17-9-18(12-19)13-20(23)11-17/h16-20H,1-15H2,(H,24,26).
What are the key properties of CID 24989229?
CID 24989229 has a molecular weight of 420.55 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 24989229 is sourced from PubChem (CID 24989229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).