CID 90056331

C22H30N2O3 — CID 90056331

IUPAC—
SMILESCCC(CC)Cc1ccc2c(c1)C1(COC(N)=N1)C1(COC1)C1(CCC1)O2
InChIInChI=1S/C22H30N2O3/c1-3-15(4-2)10-16-6-7-18-17(11-16)22(14-26-19(23)24-22)20(12-25-13-20)21(27-18)8-5-9-21/h6-7,11,15H,3-5,8-10,12-14H2,1-2H3,(H2,23,24)
InChIKeyVCGSYVUVMWKNOH-UHFFFAOYSA-N
MW370.49 g/mol
LogP3.54
Rot. Bonds4

About CID 90056331

CID 90056331 (PubChem CID 90056331) has the molecular formula C22H30N2O3 and a molecular weight of 370.49 g/mol.

Molecular Properties

Compound NameCID 90056331
PubChem CID90056331
Molecular FormulaC22H30N2O3
Molecular Weight370.49 g/mol
Exact Mass370.23
IUPAC Name—
SMILESCCC(CC)Cc1ccc2c(c1)C1(COC(N)=N1)C1(COC1)C1(CCC1)O2
InChIInChI=1S/C22H30N2O3/c1-3-15(4-2)10-16-6-7-18-17(11-16)22(14-26-19(23)24-22)20(12-25-13-20)21(27-18)8-5-9-21/h6-7,11,15H,3-5,8-10,12-14H2,1-2H3,(H2,23,24)
InChIKeyVCGSYVUVMWKNOH-UHFFFAOYSA-N
XLogP3.54
TPSA66.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.49
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of CID 90056331?
The IUPAC name of CID 90056331 (CID 90056331) is not available.
What is the SMILES notation for CID 90056331?
The canonical SMILES for CID 90056331 is CCC(CC)Cc1ccc2c(c1)C1(COC(N)=N1)C1(COC1)C1(CCC1)O2.
What is the InChIKey of CID 90056331?
The InChIKey is VCGSYVUVMWKNOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O3/c1-3-15(4-2)10-16-6-7-18-17(11-16)22(14-26-19(23)24-22)20(12-25-13-20)21(27-18)8-5-9-21/h6-7,11,15H,3-5,8-10,12-14H2,1-2H3,(H2,23,24).
What are the key properties of CID 90056331?
CID 90056331 has a molecular weight of 370.49 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 90056331 is sourced from PubChem (CID 90056331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).