CID 110211760

C21H27N3O3 — CID 110211760

IUPAC—
SMILESO=C1NC2(COC3(CCN(C(=O)C4CCCC4)CC3)C2)Nc2ccccc21
InChIInChI=1S/C21H27N3O3/c25-18-16-7-3-4-8-17(16)22-21(23-18)13-20(27-14-21)9-11-24(12-10-20)19(26)15-5-1-2-6-15/h3-4,7-8,15,22H,1-2,5-6,9-14H2,(H,23,25)
InChIKeyVGNZVGPAJFEBAC-UHFFFAOYSA-N
MW369.47 g/mol
LogP2.51
Rot. Bonds1

About CID 110211760

CID 110211760 (PubChem CID 110211760) has the molecular formula C21H27N3O3 and a molecular weight of 369.47 g/mol.

Molecular Properties

Compound NameCID 110211760
PubChem CID110211760
Molecular FormulaC21H27N3O3
Molecular Weight369.47 g/mol
Exact Mass369.21
IUPAC Name—
SMILESO=C1NC2(COC3(CCN(C(=O)C4CCCC4)CC3)C2)Nc2ccccc21
InChIInChI=1S/C21H27N3O3/c25-18-16-7-3-4-8-17(16)22-21(23-18)13-20(27-14-21)9-11-24(12-10-20)19(26)15-5-1-2-6-15/h3-4,7-8,15,22H,1-2,5-6,9-14H2,(H,23,25)
InChIKeyVGNZVGPAJFEBAC-UHFFFAOYSA-N
XLogP2.51
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of CID 110211760?
The IUPAC name of CID 110211760 (CID 110211760) is not available.
What is the SMILES notation for CID 110211760?
The canonical SMILES for CID 110211760 is O=C1NC2(COC3(CCN(C(=O)C4CCCC4)CC3)C2)Nc2ccccc21.
What is the InChIKey of CID 110211760?
The InChIKey is VGNZVGPAJFEBAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O3/c25-18-16-7-3-4-8-17(16)22-21(23-18)13-20(27-14-21)9-11-24(12-10-20)19(26)15-5-1-2-6-15/h3-4,7-8,15,22H,1-2,5-6,9-14H2,(H,23,25).
What are the key properties of CID 110211760?
CID 110211760 has a molecular weight of 369.47 g/mol, XLogP of 2.51, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 110211760 is sourced from PubChem (CID 110211760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).