20-(3-hydroxyphenyl)-2,15-dioxa-20-azapentacyclo[14.7.0.03,8.09,14.018,22]tricosa-1(16),3,5,7,9,11,13,17,22-nonaene-19,21-dione

C26H15NO5 — CID 19587901

IUPAC20-(3-hydroxyphenyl)-2,15-dioxa-20-azapentacyclo[14.7.0.03,8.09,14.018,22]tricosa-1(16),3,5,7,9,11,13,17,22-nonaene-19,21-dione
SMILESO=C1c2cc3oc4ccccc4c4ccccc4oc3cc2C(=O)N1c1cccc(O)c1
InChIInChI=1S/C26H15NO5/c28-16-7-5-6-15(12-16)27-25(29)19-13-23-24(14-20(19)26(27)30)32-22-11-4-2-9-18(22)17-8-1-3-10-21(17)31-23/h1-14,28H
InChIKeyDXJHKOBGNYQZDG-UHFFFAOYSA-N
MW421.41 g/mol
LogP5.96
Rot. Bonds1

About 20-(3-hydroxyphenyl)-2,15-dioxa-20-azapentacyclo[14.7.0.03,8.09,14.018,22]tricosa-1(16),3,5,7,9,11,13,17,22-nonaene-19,21-dione

20-(3-hydroxyphenyl)-2,15-dioxa-20-azapentacyclo[14.7.0.03,8.09,14.018,22]tricosa-1(16),3,5,7,9,11,13,17,22-nonaene-19,21-dione (PubChem CID 19587901) has the molecular formula C26H15NO5 and a molecular weight of 421.41 g/mol. Its IUPAC name is 20-(3-hydroxyphenyl)-2,15-dioxa-20-azapentacyclo[14.7.0.03,8.09,14.018,22]tricosa-1(16),3,5,7,9,11,13,17,22-nonaene-19,21-dione.

Molecular Properties

Compound Name20-(3-hydroxyphenyl)-2,15-dioxa-20-azapentacyclo[14.7.0.03,8.09,14.018,22]tricosa-1(16),3,5,7,9,11,13,17,22-nonaene-19,21-dione
PubChem CID19587901
Molecular FormulaC26H15NO5
Molecular Weight421.41 g/mol
Exact Mass421.10
IUPAC Name20-(3-hydroxyphenyl)-2,15-dioxa-20-azapentacyclo[14.7.0.03,8.09,14.018,22]tricosa-1(16),3,5,7,9,11,13,17,22-nonaene-19,21-dione
SMILESO=C1c2cc3oc4ccccc4c4ccccc4oc3cc2C(=O)N1c1cccc(O)c1
InChIInChI=1S/C26H15NO5/c28-16-7-5-6-15(12-16)27-25(29)19-13-23-24(14-20(19)26(27)30)32-22-11-4-2-9-18(22)17-8-1-3-10-21(17)31-23/h1-14,28H
InChIKeyDXJHKOBGNYQZDG-UHFFFAOYSA-N
XLogP5.96
TPSA83.89 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.41
LogP ≤ 55.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 20-(3-hydroxyphenyl)-2,15-dioxa-20-azapentacyclo[14.7.0.03,8.09,14.018,22]tricosa-1(16),3,5,7,9,11,13,17,22-nonaene-19,21-dione with MolForge

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Related Compounds

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ethyl 4-(19,21-dioxo-2,15-dioxa-20-azapentacyclo[14.7.0.03,8.09,14.018,22]tricosa-1(16),3,5,7,9,11,13,17,22-nonaen-20-yl)benzoate
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Frequently Asked Questions

What is the IUPAC name of 20-(3-hydroxyphenyl)-2,15-dioxa-20-azapentacyclo[14.7.0.03,8.09,14.018,22]tricosa-1(16),3,5,7,9,11,13,17,22-nonaene-19,21-dione?
The IUPAC name of 20-(3-hydroxyphenyl)-2,15-dioxa-20-azapentacyclo[14.7.0.03,8.09,14.018,22]tricosa-1(16),3,5,7,9,11,13,17,22-nonaene-19,21-dione (CID 19587901) is 20-(3-hydroxyphenyl)-2,15-dioxa-20-azapentacyclo[14.7.0.03,8.09,14.018,22]tricosa-1(16),3,5,7,9,11,13,17,22-nonaene-19,21-dione.
What is the SMILES notation for 20-(3-hydroxyphenyl)-2,15-dioxa-20-azapentacyclo[14.7.0.03,8.09,14.018,22]tricosa-1(16),3,5,7,9,11,13,17,22-nonaene-19,21-dione?
The canonical SMILES for 20-(3-hydroxyphenyl)-2,15-dioxa-20-azapentacyclo[14.7.0.03,8.09,14.018,22]tricosa-1(16),3,5,7,9,11,13,17,22-nonaene-19,21-dione is O=C1c2cc3oc4ccccc4c4ccccc4oc3cc2C(=O)N1c1cccc(O)c1.
What is the InChIKey of 20-(3-hydroxyphenyl)-2,15-dioxa-20-azapentacyclo[14.7.0.03,8.09,14.018,22]tricosa-1(16),3,5,7,9,11,13,17,22-nonaene-19,21-dione?
The InChIKey is DXJHKOBGNYQZDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H15NO5/c28-16-7-5-6-15(12-16)27-25(29)19-13-23-24(14-20(19)26(27)30)32-22-11-4-2-9-18(22)17-8-1-3-10-21(17)31-23/h1-14,28H.
What are the key properties of 20-(3-hydroxyphenyl)-2,15-dioxa-20-azapentacyclo[14.7.0.03,8.09,14.018,22]tricosa-1(16),3,5,7,9,11,13,17,22-nonaene-19,21-dione?
20-(3-hydroxyphenyl)-2,15-dioxa-20-azapentacyclo[14.7.0.03,8.09,14.018,22]tricosa-1(16),3,5,7,9,11,13,17,22-nonaene-19,21-dione has a molecular weight of 421.41 g/mol, XLogP of 5.96, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 20-(3-hydroxyphenyl)-2,15-dioxa-20-azapentacyclo[14.7.0.03,8.09,14.018,22]tricosa-1(16),3,5,7,9,11,13,17,22-nonaene-19,21-dione is sourced from PubChem (CID 19587901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).