(8R,15R,19R)-15-ethyl-8-hydroxy-1,11-diazapentacyclo[9.7.1.02,7.08,19.015,19]nonadeca-2,4,6-trien-18-one

C19H24N2O2 — CID 134155897

IUPAC(8R,15R,19R)-15-ethyl-8-hydroxy-1,11-diazapentacyclo[9.7.1.02,7.08,19.015,19]nonadeca-2,4,6-trien-18-one
SMILESCC[C@@]12CCCN3CC[C@@]4(O)c5ccccc5N(C(=O)CC1)[C@]324
InChIInChI=1S/C19H24N2O2/c1-2-17-9-5-12-20-13-11-18(23)14-6-3-4-7-15(14)21(19(17,18)20)16(22)8-10-17/h3-4,6-7,23H,2,5,8-13H2,1H3/t17-,18-,19-/m1/s1
InChIKeyDUUKAPWRHRHNBO-GUDVDZBRSA-N
MW312.41 g/mol
LogP2.61
Rot. Bonds1

About (8R,15R,19R)-15-ethyl-8-hydroxy-1,11-diazapentacyclo[9.7.1.02,7.08,19.015,19]nonadeca-2,4,6-trien-18-one

(8R,15R,19R)-15-ethyl-8-hydroxy-1,11-diazapentacyclo[9.7.1.02,7.08,19.015,19]nonadeca-2,4,6-trien-18-one (PubChem CID 134155897) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is (8R,15R,19R)-15-ethyl-8-hydroxy-1,11-diazapentacyclo[9.7.1.02,7.08,19.015,19]nonadeca-2,4,6-trien-18-one.

Molecular Properties

Compound Name(8R,15R,19R)-15-ethyl-8-hydroxy-1,11-diazapentacyclo[9.7.1.02,7.08,19.015,19]nonadeca-2,4,6-trien-18-one
PubChem CID134155897
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC Name(8R,15R,19R)-15-ethyl-8-hydroxy-1,11-diazapentacyclo[9.7.1.02,7.08,19.015,19]nonadeca-2,4,6-trien-18-one
SMILESCC[C@@]12CCCN3CC[C@@]4(O)c5ccccc5N(C(=O)CC1)[C@]324
InChIInChI=1S/C19H24N2O2/c1-2-17-9-5-12-20-13-11-18(23)14-6-3-4-7-15(14)21(19(17,18)20)16(22)8-10-17/h3-4,6-7,23H,2,5,8-13H2,1H3/t17-,18-,19-/m1/s1
InChIKeyDUUKAPWRHRHNBO-GUDVDZBRSA-N
XLogP2.61
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (8R,15R,19R)-15-ethyl-8-hydroxy-1,11-diazapentacyclo[9.7.1.02,7.08,19.015,19]nonadeca-2,4,6-trien-18-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (8R,15R,19R)-15-ethyl-8-hydroxy-1,11-diazapentacyclo[9.7.1.02,7.08,19.015,19]nonadeca-2,4,6-trien-18-one?
The IUPAC name of (8R,15R,19R)-15-ethyl-8-hydroxy-1,11-diazapentacyclo[9.7.1.02,7.08,19.015,19]nonadeca-2,4,6-trien-18-one (CID 134155897) is (8R,15R,19R)-15-ethyl-8-hydroxy-1,11-diazapentacyclo[9.7.1.02,7.08,19.015,19]nonadeca-2,4,6-trien-18-one.
What is the SMILES notation for (8R,15R,19R)-15-ethyl-8-hydroxy-1,11-diazapentacyclo[9.7.1.02,7.08,19.015,19]nonadeca-2,4,6-trien-18-one?
The canonical SMILES for (8R,15R,19R)-15-ethyl-8-hydroxy-1,11-diazapentacyclo[9.7.1.02,7.08,19.015,19]nonadeca-2,4,6-trien-18-one is CC[C@@]12CCCN3CC[C@@]4(O)c5ccccc5N(C(=O)CC1)[C@]324.
What is the InChIKey of (8R,15R,19R)-15-ethyl-8-hydroxy-1,11-diazapentacyclo[9.7.1.02,7.08,19.015,19]nonadeca-2,4,6-trien-18-one?
The InChIKey is DUUKAPWRHRHNBO-GUDVDZBRSA-N. The full InChI is InChI=1S/C19H24N2O2/c1-2-17-9-5-12-20-13-11-18(23)14-6-3-4-7-15(14)21(19(17,18)20)16(22)8-10-17/h3-4,6-7,23H,2,5,8-13H2,1H3/t17-,18-,19-/m1/s1.
What are the key properties of (8R,15R,19R)-15-ethyl-8-hydroxy-1,11-diazapentacyclo[9.7.1.02,7.08,19.015,19]nonadeca-2,4,6-trien-18-one?
(8R,15R,19R)-15-ethyl-8-hydroxy-1,11-diazapentacyclo[9.7.1.02,7.08,19.015,19]nonadeca-2,4,6-trien-18-one has a molecular weight of 312.41 g/mol, XLogP of 2.61, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (8R,15R,19R)-15-ethyl-8-hydroxy-1,11-diazapentacyclo[9.7.1.02,7.08,19.015,19]nonadeca-2,4,6-trien-18-one is sourced from PubChem (CID 134155897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).