(19R)-17-benzyl-16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-1-carboxylic acid

C26H19NO4 — CID 131842034

IUPAC(19R)-17-benzyl-16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-1-carboxylic acid
SMILESO=C1C2[C@H](C(=O)N1Cc1ccccc1)C1c3ccccc3C2(C(=O)O)c2ccccc21
InChIInChI=1S/C26H19NO4/c28-23-21-20-16-10-4-6-12-18(16)26(25(30)31,19-13-7-5-11-17(19)20)22(21)24(29)27(23)14-15-8-2-1-3-9-15/h1-13,20-22H,14H2,(H,30,31)/t20?,21-,22?,26?/m1/s1
InChIKeyRREDHICTOYVTIE-PBPVNEIASA-N
MW409.44 g/mol
LogP3.32
Rot. Bonds3

About (19R)-17-benzyl-16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-1-carboxylic acid

(19R)-17-benzyl-16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-1-carboxylic acid (PubChem CID 131842034) has the molecular formula C26H19NO4 and a molecular weight of 409.44 g/mol. Its IUPAC name is (19R)-17-benzyl-16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-1-carboxylic acid.

Molecular Properties

Compound Name(19R)-17-benzyl-16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-1-carboxylic acid
PubChem CID131842034
Molecular FormulaC26H19NO4
Molecular Weight409.44 g/mol
Exact Mass409.13
IUPAC Name(19R)-17-benzyl-16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-1-carboxylic acid
SMILESO=C1C2[C@H](C(=O)N1Cc1ccccc1)C1c3ccccc3C2(C(=O)O)c2ccccc21
InChIInChI=1S/C26H19NO4/c28-23-21-20-16-10-4-6-12-18(16)26(25(30)31,19-13-7-5-11-17(19)20)22(21)24(29)27(23)14-15-8-2-1-3-9-15/h1-13,20-22H,14H2,(H,30,31)/t20?,21-,22?,26?/m1/s1
InChIKeyRREDHICTOYVTIE-PBPVNEIASA-N
XLogP3.32
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.44
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (19R)-17-benzyl-16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (19R)-17-benzyl-16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-1-carboxylic acid?
The IUPAC name of (19R)-17-benzyl-16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-1-carboxylic acid (CID 131842034) is (19R)-17-benzyl-16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-1-carboxylic acid.
What is the SMILES notation for (19R)-17-benzyl-16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-1-carboxylic acid?
The canonical SMILES for (19R)-17-benzyl-16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-1-carboxylic acid is O=C1C2[C@H](C(=O)N1Cc1ccccc1)C1c3ccccc3C2(C(=O)O)c2ccccc21.
What is the InChIKey of (19R)-17-benzyl-16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-1-carboxylic acid?
The InChIKey is RREDHICTOYVTIE-PBPVNEIASA-N. The full InChI is InChI=1S/C26H19NO4/c28-23-21-20-16-10-4-6-12-18(16)26(25(30)31,19-13-7-5-11-17(19)20)22(21)24(29)27(23)14-15-8-2-1-3-9-15/h1-13,20-22H,14H2,(H,30,31)/t20?,21-,22?,26?/m1/s1.
What are the key properties of (19R)-17-benzyl-16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-1-carboxylic acid?
(19R)-17-benzyl-16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-1-carboxylic acid has a molecular weight of 409.44 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (19R)-17-benzyl-16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-1-carboxylic acid is sourced from PubChem (CID 131842034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).