CID 71601509

C23H38N2O4 — CID 71601509

IUPAC—
SMILESCC(C)(N)CNC(=O)CC1CCC2(CC1)COC1(OO2)C2CC3CC(C2)CC1C3
InChIInChI=1S/C23H38N2O4/c1-21(2,24)13-25-20(26)12-15-3-5-22(6-4-15)14-27-23(29-28-22)18-8-16-7-17(10-18)11-19(23)9-16/h15-19H,3-14,24H2,1-2H3,(H,25,26)
InChIKeyLLBMFUWNUXRCKZ-UHFFFAOYSA-N
MW406.57 g/mol
LogP3.29
Rot. Bonds4

About CID 71601509

CID 71601509 (PubChem CID 71601509) has the molecular formula C23H38N2O4 and a molecular weight of 406.57 g/mol.

Molecular Properties

Compound NameCID 71601509
PubChem CID71601509
Molecular FormulaC23H38N2O4
Molecular Weight406.57 g/mol
Exact Mass406.28
IUPAC Name—
SMILESCC(C)(N)CNC(=O)CC1CCC2(CC1)COC1(OO2)C2CC3CC(C2)CC1C3
InChIInChI=1S/C23H38N2O4/c1-21(2,24)13-25-20(26)12-15-3-5-22(6-4-15)14-27-23(29-28-22)18-8-16-7-17(10-18)11-19(23)9-16/h15-19H,3-14,24H2,1-2H3,(H,25,26)
InChIKeyLLBMFUWNUXRCKZ-UHFFFAOYSA-N
XLogP3.29
TPSA82.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.57
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 71601509?
The IUPAC name of CID 71601509 (CID 71601509) is not available.
What is the SMILES notation for CID 71601509?
The canonical SMILES for CID 71601509 is CC(C)(N)CNC(=O)CC1CCC2(CC1)COC1(OO2)C2CC3CC(C2)CC1C3.
What is the InChIKey of CID 71601509?
The InChIKey is LLBMFUWNUXRCKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H38N2O4/c1-21(2,24)13-25-20(26)12-15-3-5-22(6-4-15)14-27-23(29-28-22)18-8-16-7-17(10-18)11-19(23)9-16/h15-19H,3-14,24H2,1-2H3,(H,25,26).
What are the key properties of CID 71601509?
CID 71601509 has a molecular weight of 406.57 g/mol, XLogP of 3.29, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 71601509 is sourced from PubChem (CID 71601509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).