8,18-dioxa-11-azatetracyclo[17.2.2.02,7.011,16]tricosa-2,4,6-triene-10,15-dione

C20H25NO4 — CID 170605485

IUPAC8,18-dioxa-11-azatetracyclo[17.2.2.02,7.011,16]tricosa-2,4,6-triene-10,15-dione
SMILESO=C1CCCN2C(=O)COc3ccccc3C3CCC(CC3)OCC12
InChIInChI=1S/C20H25NO4/c22-18-5-3-11-21-17(18)12-24-15-9-7-14(8-10-15)16-4-1-2-6-19(16)25-13-20(21)23/h1-2,4,6,14-15,17H,3,5,7-13H2
InChIKeyDQBVMZRBCIXCGM-UHFFFAOYSA-N
MW343.42 g/mol
LogP2.68
Rot. Bonds

About 8,18-dioxa-11-azatetracyclo[17.2.2.02,7.011,16]tricosa-2,4,6-triene-10,15-dione

8,18-dioxa-11-azatetracyclo[17.2.2.02,7.011,16]tricosa-2,4,6-triene-10,15-dione (PubChem CID 170605485) has the molecular formula C20H25NO4 and a molecular weight of 343.42 g/mol. Its IUPAC name is 8,18-dioxa-11-azatetracyclo[17.2.2.02,7.011,16]tricosa-2,4,6-triene-10,15-dione.

Molecular Properties

Compound Name8,18-dioxa-11-azatetracyclo[17.2.2.02,7.011,16]tricosa-2,4,6-triene-10,15-dione
PubChem CID170605485
Molecular FormulaC20H25NO4
Molecular Weight343.42 g/mol
Exact Mass343.18
IUPAC Name8,18-dioxa-11-azatetracyclo[17.2.2.02,7.011,16]tricosa-2,4,6-triene-10,15-dione
SMILESO=C1CCCN2C(=O)COc3ccccc3C3CCC(CC3)OCC12
InChIInChI=1S/C20H25NO4/c22-18-5-3-11-21-17(18)12-24-15-9-7-14(8-10-15)16-4-1-2-6-19(16)25-13-20(21)23/h1-2,4,6,14-15,17H,3,5,7-13H2
InChIKeyDQBVMZRBCIXCGM-UHFFFAOYSA-N
XLogP2.68
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.42
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8,18-dioxa-11-azatetracyclo[17.2.2.02,7.011,16]tricosa-2,4,6-triene-10,15-dione?
The IUPAC name of 8,18-dioxa-11-azatetracyclo[17.2.2.02,7.011,16]tricosa-2,4,6-triene-10,15-dione (CID 170605485) is 8,18-dioxa-11-azatetracyclo[17.2.2.02,7.011,16]tricosa-2,4,6-triene-10,15-dione.
What is the SMILES notation for 8,18-dioxa-11-azatetracyclo[17.2.2.02,7.011,16]tricosa-2,4,6-triene-10,15-dione?
The canonical SMILES for 8,18-dioxa-11-azatetracyclo[17.2.2.02,7.011,16]tricosa-2,4,6-triene-10,15-dione is O=C1CCCN2C(=O)COc3ccccc3C3CCC(CC3)OCC12.
What is the InChIKey of 8,18-dioxa-11-azatetracyclo[17.2.2.02,7.011,16]tricosa-2,4,6-triene-10,15-dione?
The InChIKey is DQBVMZRBCIXCGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO4/c22-18-5-3-11-21-17(18)12-24-15-9-7-14(8-10-15)16-4-1-2-6-19(16)25-13-20(21)23/h1-2,4,6,14-15,17H,3,5,7-13H2.
What are the key properties of 8,18-dioxa-11-azatetracyclo[17.2.2.02,7.011,16]tricosa-2,4,6-triene-10,15-dione?
8,18-dioxa-11-azatetracyclo[17.2.2.02,7.011,16]tricosa-2,4,6-triene-10,15-dione has a molecular weight of 343.42 g/mol, XLogP of 2.68, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8,18-dioxa-11-azatetracyclo[17.2.2.02,7.011,16]tricosa-2,4,6-triene-10,15-dione is sourced from PubChem (CID 170605485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).