CID 11474181

C22H30N2O3 — CID 11474181

IUPAC—
SMILESc1cncc(NCC2CCC3(CC2)OOC2(O3)C3CC4CC(C3)CC2C4)c1
InChIInChI=1S/C22H30N2O3/c1-2-20(14-23-7-1)24-13-15-3-5-21(6-4-15)25-22(27-26-21)18-9-16-8-17(11-18)12-19(22)10-16/h1-2,7,14-19,24H,3-6,8-13H2
InChIKeyGCEMXVHNBSGPCE-UHFFFAOYSA-N
MW370.49 g/mol
LogP4.51
Rot. Bonds3

About CID 11474181

CID 11474181 (PubChem CID 11474181) has the molecular formula C22H30N2O3 and a molecular weight of 370.49 g/mol.

Molecular Properties

Compound NameCID 11474181
PubChem CID11474181
Molecular FormulaC22H30N2O3
Molecular Weight370.49 g/mol
Exact Mass370.23
IUPAC Name—
SMILESc1cncc(NCC2CCC3(CC2)OOC2(O3)C3CC4CC(C3)CC2C4)c1
InChIInChI=1S/C22H30N2O3/c1-2-20(14-23-7-1)24-13-15-3-5-21(6-4-15)25-22(27-26-21)18-9-16-8-17(11-18)12-19(22)10-16/h1-2,7,14-19,24H,3-6,8-13H2
InChIKeyGCEMXVHNBSGPCE-UHFFFAOYSA-N
XLogP4.51
TPSA52.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.49
LogP ≤ 54.51
H-Bond Donors ≤ 51
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 11474181?
The IUPAC name of CID 11474181 (CID 11474181) is not available.
What is the SMILES notation for CID 11474181?
The canonical SMILES for CID 11474181 is c1cncc(NCC2CCC3(CC2)OOC2(O3)C3CC4CC(C3)CC2C4)c1.
What is the InChIKey of CID 11474181?
The InChIKey is GCEMXVHNBSGPCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O3/c1-2-20(14-23-7-1)24-13-15-3-5-21(6-4-15)25-22(27-26-21)18-9-16-8-17(11-18)12-19(22)10-16/h1-2,7,14-19,24H,3-6,8-13H2.
What are the key properties of CID 11474181?
CID 11474181 has a molecular weight of 370.49 g/mol, XLogP of 4.51, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 11474181 is sourced from PubChem (CID 11474181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).