CID 11234242

C20H28N2O5 — CID 11234242

IUPAC—
SMILESO=C1CNC(=O)N1CC1CCC2(CC1)OOC1(O2)C2CC3CC(C2)CC1C3
InChIInChI=1S/C20H28N2O5/c23-17-10-21-18(24)22(17)11-12-1-3-19(4-2-12)25-20(27-26-19)15-6-13-5-14(8-15)9-16(20)7-13/h12-16H,1-11H2,(H,21,24)
InChIKeyYTBRKMPHWYVPJI-UHFFFAOYSA-N
MW376.45 g/mol
LogP2.56
Rot. Bonds2

About CID 11234242

CID 11234242 (PubChem CID 11234242) has the molecular formula C20H28N2O5 and a molecular weight of 376.45 g/mol.

Molecular Properties

Compound NameCID 11234242
PubChem CID11234242
Molecular FormulaC20H28N2O5
Molecular Weight376.45 g/mol
Exact Mass376.20
IUPAC Name—
SMILESO=C1CNC(=O)N1CC1CCC2(CC1)OOC1(O2)C2CC3CC(C2)CC1C3
InChIInChI=1S/C20H28N2O5/c23-17-10-21-18(24)22(17)11-12-1-3-19(4-2-12)25-20(27-26-19)15-6-13-5-14(8-15)9-16(20)7-13/h12-16H,1-11H2,(H,21,24)
InChIKeyYTBRKMPHWYVPJI-UHFFFAOYSA-N
XLogP2.56
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.45
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 11234242?
The IUPAC name of CID 11234242 (CID 11234242) is not available.
What is the SMILES notation for CID 11234242?
The canonical SMILES for CID 11234242 is O=C1CNC(=O)N1CC1CCC2(CC1)OOC1(O2)C2CC3CC(C2)CC1C3.
What is the InChIKey of CID 11234242?
The InChIKey is YTBRKMPHWYVPJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O5/c23-17-10-21-18(24)22(17)11-12-1-3-19(4-2-12)25-20(27-26-19)15-6-13-5-14(8-15)9-16(20)7-13/h12-16H,1-11H2,(H,21,24).
What are the key properties of CID 11234242?
CID 11234242 has a molecular weight of 376.45 g/mol, XLogP of 2.56, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 11234242 is sourced from PubChem (CID 11234242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).