(1R,14R,15R,19S)-17-phenyl-20-oxa-17-azapentacyclo[12.5.1.01,10.02,7.015,19]icosa-2,4,6-triene-13,16,18-trione

C24H21NO4 — CID 101157264

IUPAC(1R,14R,15R,19S)-17-phenyl-20-oxa-17-azapentacyclo[12.5.1.01,10.02,7.015,19]icosa-2,4,6-triene-13,16,18-trione
SMILESO=C1CCC2CCc3ccccc3[C@@]23O[C@@H]1[C@@H]1C(=O)N(c2ccccc2)C(=O)[C@@H]13
InChIInChI=1S/C24H21NO4/c26-18-13-12-15-11-10-14-6-4-5-9-17(14)24(15)20-19(21(18)29-24)22(27)25(23(20)28)16-7-2-1-3-8-16/h1-9,15,19-21H,10-13H2/t15?,19-,20-,21+,24+/m1/s1
InChIKeyVBIPGVBVWKIPFG-QRNOHSMVSA-N
MW387.44 g/mol
LogP3.01
Rot. Bonds1

About (1R,14R,15R,19S)-17-phenyl-20-oxa-17-azapentacyclo[12.5.1.01,10.02,7.015,19]icosa-2,4,6-triene-13,16,18-trione

(1R,14R,15R,19S)-17-phenyl-20-oxa-17-azapentacyclo[12.5.1.01,10.02,7.015,19]icosa-2,4,6-triene-13,16,18-trione (PubChem CID 101157264) has the molecular formula C24H21NO4 and a molecular weight of 387.44 g/mol. Its IUPAC name is (1R,14R,15R,19S)-17-phenyl-20-oxa-17-azapentacyclo[12.5.1.01,10.02,7.015,19]icosa-2,4,6-triene-13,16,18-trione.

Molecular Properties

Compound Name(1R,14R,15R,19S)-17-phenyl-20-oxa-17-azapentacyclo[12.5.1.01,10.02,7.015,19]icosa-2,4,6-triene-13,16,18-trione
PubChem CID101157264
Molecular FormulaC24H21NO4
Molecular Weight387.44 g/mol
Exact Mass387.15
IUPAC Name(1R,14R,15R,19S)-17-phenyl-20-oxa-17-azapentacyclo[12.5.1.01,10.02,7.015,19]icosa-2,4,6-triene-13,16,18-trione
SMILESO=C1CCC2CCc3ccccc3[C@@]23O[C@@H]1[C@@H]1C(=O)N(c2ccccc2)C(=O)[C@@H]13
InChIInChI=1S/C24H21NO4/c26-18-13-12-15-11-10-14-6-4-5-9-17(14)24(15)20-19(21(18)29-24)22(27)25(23(20)28)16-7-2-1-3-8-16/h1-9,15,19-21H,10-13H2/t15?,19-,20-,21+,24+/m1/s1
InChIKeyVBIPGVBVWKIPFG-QRNOHSMVSA-N
XLogP3.01
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (1R,14R,15R,19S)-17-phenyl-20-oxa-17-azapentacyclo[12.5.1.01,10.02,7.015,19]icosa-2,4,6-triene-13,16,18-trione with MolForge

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Related Compounds

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CID 7073029
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CID 101361956
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Frequently Asked Questions

What is the IUPAC name of (1R,14R,15R,19S)-17-phenyl-20-oxa-17-azapentacyclo[12.5.1.01,10.02,7.015,19]icosa-2,4,6-triene-13,16,18-trione?
The IUPAC name of (1R,14R,15R,19S)-17-phenyl-20-oxa-17-azapentacyclo[12.5.1.01,10.02,7.015,19]icosa-2,4,6-triene-13,16,18-trione (CID 101157264) is (1R,14R,15R,19S)-17-phenyl-20-oxa-17-azapentacyclo[12.5.1.01,10.02,7.015,19]icosa-2,4,6-triene-13,16,18-trione.
What is the SMILES notation for (1R,14R,15R,19S)-17-phenyl-20-oxa-17-azapentacyclo[12.5.1.01,10.02,7.015,19]icosa-2,4,6-triene-13,16,18-trione?
The canonical SMILES for (1R,14R,15R,19S)-17-phenyl-20-oxa-17-azapentacyclo[12.5.1.01,10.02,7.015,19]icosa-2,4,6-triene-13,16,18-trione is O=C1CCC2CCc3ccccc3[C@@]23O[C@@H]1[C@@H]1C(=O)N(c2ccccc2)C(=O)[C@@H]13.
What is the InChIKey of (1R,14R,15R,19S)-17-phenyl-20-oxa-17-azapentacyclo[12.5.1.01,10.02,7.015,19]icosa-2,4,6-triene-13,16,18-trione?
The InChIKey is VBIPGVBVWKIPFG-QRNOHSMVSA-N. The full InChI is InChI=1S/C24H21NO4/c26-18-13-12-15-11-10-14-6-4-5-9-17(14)24(15)20-19(21(18)29-24)22(27)25(23(20)28)16-7-2-1-3-8-16/h1-9,15,19-21H,10-13H2/t15?,19-,20-,21+,24+/m1/s1.
What are the key properties of (1R,14R,15R,19S)-17-phenyl-20-oxa-17-azapentacyclo[12.5.1.01,10.02,7.015,19]icosa-2,4,6-triene-13,16,18-trione?
(1R,14R,15R,19S)-17-phenyl-20-oxa-17-azapentacyclo[12.5.1.01,10.02,7.015,19]icosa-2,4,6-triene-13,16,18-trione has a molecular weight of 387.44 g/mol, XLogP of 3.01, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,14R,15R,19S)-17-phenyl-20-oxa-17-azapentacyclo[12.5.1.01,10.02,7.015,19]icosa-2,4,6-triene-13,16,18-trione is sourced from PubChem (CID 101157264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).