6-(2-hydroxy-2-phenylethyl)-4,11-dioxa-6,16-diazatetracyclo[8.7.0.03,8.012,16]heptadeca-1,3(8),9-triene-7,17-dione

C21H20N2O5 — CID 56659900

IUPAC6-(2-hydroxy-2-phenylethyl)-4,11-dioxa-6,16-diazatetracyclo[8.7.0.03,8.012,16]heptadeca-1,3(8),9-triene-7,17-dione
SMILESO=C1c2cc3c(cc2OCN1CC(O)c1ccccc1)C(=O)N1CCCC1O3
InChIInChI=1S/C21H20N2O5/c24-16(13-5-2-1-3-6-13)11-22-12-27-17-9-15-18(10-14(17)20(22)25)28-19-7-4-8-23(19)21(15)26/h1-3,5-6,9-10,16,19,24H,4,7-8,11-12H2
InChIKeyLIXIVCSGPSXRLV-UHFFFAOYSA-N
MW380.40 g/mol
LogP2.17
Rot. Bonds3

About 6-(2-hydroxy-2-phenylethyl)-4,11-dioxa-6,16-diazatetracyclo[8.7.0.03,8.012,16]heptadeca-1,3(8),9-triene-7,17-dione

6-(2-hydroxy-2-phenylethyl)-4,11-dioxa-6,16-diazatetracyclo[8.7.0.03,8.012,16]heptadeca-1,3(8),9-triene-7,17-dione (PubChem CID 56659900) has the molecular formula C21H20N2O5 and a molecular weight of 380.40 g/mol. Its IUPAC name is 6-(2-hydroxy-2-phenylethyl)-4,11-dioxa-6,16-diazatetracyclo[8.7.0.03,8.012,16]heptadeca-1,3(8),9-triene-7,17-dione.

Molecular Properties

Compound Name6-(2-hydroxy-2-phenylethyl)-4,11-dioxa-6,16-diazatetracyclo[8.7.0.03,8.012,16]heptadeca-1,3(8),9-triene-7,17-dione
PubChem CID56659900
Molecular FormulaC21H20N2O5
Molecular Weight380.40 g/mol
Exact Mass380.14
IUPAC Name6-(2-hydroxy-2-phenylethyl)-4,11-dioxa-6,16-diazatetracyclo[8.7.0.03,8.012,16]heptadeca-1,3(8),9-triene-7,17-dione
SMILESO=C1c2cc3c(cc2OCN1CC(O)c1ccccc1)C(=O)N1CCCC1O3
InChIInChI=1S/C21H20N2O5/c24-16(13-5-2-1-3-6-13)11-22-12-27-17-9-15-18(10-14(17)20(22)25)28-19-7-4-8-23(19)21(15)26/h1-3,5-6,9-10,16,19,24H,4,7-8,11-12H2
InChIKeyLIXIVCSGPSXRLV-UHFFFAOYSA-N
XLogP2.17
TPSA79.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.40
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-(2-hydroxy-2-phenylethyl)-4,11-dioxa-6,16-diazatetracyclo[8.7.0.03,8.012,16]heptadeca-1,3(8),9-triene-7,17-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-(2-hydroxy-2-phenylethyl)-4,11-dioxa-6,16-diazatetracyclo[8.7.0.03,8.012,16]heptadeca-1,3(8),9-triene-7,17-dione?
The IUPAC name of 6-(2-hydroxy-2-phenylethyl)-4,11-dioxa-6,16-diazatetracyclo[8.7.0.03,8.012,16]heptadeca-1,3(8),9-triene-7,17-dione (CID 56659900) is 6-(2-hydroxy-2-phenylethyl)-4,11-dioxa-6,16-diazatetracyclo[8.7.0.03,8.012,16]heptadeca-1,3(8),9-triene-7,17-dione.
What is the SMILES notation for 6-(2-hydroxy-2-phenylethyl)-4,11-dioxa-6,16-diazatetracyclo[8.7.0.03,8.012,16]heptadeca-1,3(8),9-triene-7,17-dione?
The canonical SMILES for 6-(2-hydroxy-2-phenylethyl)-4,11-dioxa-6,16-diazatetracyclo[8.7.0.03,8.012,16]heptadeca-1,3(8),9-triene-7,17-dione is O=C1c2cc3c(cc2OCN1CC(O)c1ccccc1)C(=O)N1CCCC1O3.
What is the InChIKey of 6-(2-hydroxy-2-phenylethyl)-4,11-dioxa-6,16-diazatetracyclo[8.7.0.03,8.012,16]heptadeca-1,3(8),9-triene-7,17-dione?
The InChIKey is LIXIVCSGPSXRLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O5/c24-16(13-5-2-1-3-6-13)11-22-12-27-17-9-15-18(10-14(17)20(22)25)28-19-7-4-8-23(19)21(15)26/h1-3,5-6,9-10,16,19,24H,4,7-8,11-12H2.
What are the key properties of 6-(2-hydroxy-2-phenylethyl)-4,11-dioxa-6,16-diazatetracyclo[8.7.0.03,8.012,16]heptadeca-1,3(8),9-triene-7,17-dione?
6-(2-hydroxy-2-phenylethyl)-4,11-dioxa-6,16-diazatetracyclo[8.7.0.03,8.012,16]heptadeca-1,3(8),9-triene-7,17-dione has a molecular weight of 380.40 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-hydroxy-2-phenylethyl)-4,11-dioxa-6,16-diazatetracyclo[8.7.0.03,8.012,16]heptadeca-1,3(8),9-triene-7,17-dione is sourced from PubChem (CID 56659900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).