13-cyclopropyl-10-(2-hydroxypropan-2-yl)-11-methyl-24-oxa-5,8,11,14-tetrazatricyclo[14.6.2.019,23]tetracosa-1(23),19,21-triene-6,9,12-trione;toluene

C33H46N4O5 — CID 143377193

IUPAC13-cyclopropyl-10-(2-hydroxypropan-2-yl)-11-methyl-24-oxa-5,8,11,14-tetrazatricyclo[14.6.2.019,23]tetracosa-1(23),19,21-triene-6,9,12-trione;toluene
SMILESCN1C(=O)C(C2CC2)NCC2CCc3cccc(c3O2)CCCNC(=O)CNC(=O)C1C(C)(C)O.Cc1ccccc1
InChIInChI=1S/C26H38N4O5.C7H8/c1-26(2,34)23-24(32)29-15-20(31)27-13-5-8-17-6-4-7-18-11-12-19(35-22(17)18)14-28-21(16-9-10-16)25(33)30(23)3;1-7-5-3-2-4-6-7/h4,6-7,16,19,21,23,28,34H,5,8-15H2,1-3H3,(H,27,31)(H,29,32);2-6H,1H3
InChIKeyORBFZFLOZRIWET-UHFFFAOYSA-N
MW578.75 g/mol
LogP2.52
Rot. Bonds2

About 13-cyclopropyl-10-(2-hydroxypropan-2-yl)-11-methyl-24-oxa-5,8,11,14-tetrazatricyclo[14.6.2.019,23]tetracosa-1(23),19,21-triene-6,9,12-trione;toluene

13-cyclopropyl-10-(2-hydroxypropan-2-yl)-11-methyl-24-oxa-5,8,11,14-tetrazatricyclo[14.6.2.019,23]tetracosa-1(23),19,21-triene-6,9,12-trione;toluene (PubChem CID 143377193) has the molecular formula C33H46N4O5 and a molecular weight of 578.75 g/mol. Its IUPAC name is 13-cyclopropyl-10-(2-hydroxypropan-2-yl)-11-methyl-24-oxa-5,8,11,14-tetrazatricyclo[14.6.2.019,23]tetracosa-1(23),19,21-triene-6,9,12-trione;toluene.

Molecular Properties

Compound Name13-cyclopropyl-10-(2-hydroxypropan-2-yl)-11-methyl-24-oxa-5,8,11,14-tetrazatricyclo[14.6.2.019,23]tetracosa-1(23),19,21-triene-6,9,12-trione;toluene
PubChem CID143377193
Molecular FormulaC33H46N4O5
Molecular Weight578.75 g/mol
Exact Mass578.35
IUPAC Name13-cyclopropyl-10-(2-hydroxypropan-2-yl)-11-methyl-24-oxa-5,8,11,14-tetrazatricyclo[14.6.2.019,23]tetracosa-1(23),19,21-triene-6,9,12-trione;toluene
SMILESCN1C(=O)C(C2CC2)NCC2CCc3cccc(c3O2)CCCNC(=O)CNC(=O)C1C(C)(C)O.Cc1ccccc1
InChIInChI=1S/C26H38N4O5.C7H8/c1-26(2,34)23-24(32)29-15-20(31)27-13-5-8-17-6-4-7-18-11-12-19(35-22(17)18)14-28-21(16-9-10-16)25(33)30(23)3;1-7-5-3-2-4-6-7/h4,6-7,16,19,21,23,28,34H,5,8-15H2,1-3H3,(H,27,31)(H,29,32);2-6H,1H3
InChIKeyORBFZFLOZRIWET-UHFFFAOYSA-N
XLogP2.52
TPSA120.00 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500578.75
LogP ≤ 52.52
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 13-cyclopropyl-10-(2-hydroxypropan-2-yl)-11-methyl-24-oxa-5,8,11,14-tetrazatricyclo[14.6.2.019,23]tetracosa-1(23),19,21-triene-6,9,12-trione;toluene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 13-cyclopropyl-10-(2-hydroxypropan-2-yl)-11-methyl-24-oxa-5,8,11,14-tetrazatricyclo[14.6.2.019,23]tetracosa-1(23),19,21-triene-6,9,12-trione;toluene?
The IUPAC name of 13-cyclopropyl-10-(2-hydroxypropan-2-yl)-11-methyl-24-oxa-5,8,11,14-tetrazatricyclo[14.6.2.019,23]tetracosa-1(23),19,21-triene-6,9,12-trione;toluene (CID 143377193) is 13-cyclopropyl-10-(2-hydroxypropan-2-yl)-11-methyl-24-oxa-5,8,11,14-tetrazatricyclo[14.6.2.019,23]tetracosa-1(23),19,21-triene-6,9,12-trione;toluene.
What is the SMILES notation for 13-cyclopropyl-10-(2-hydroxypropan-2-yl)-11-methyl-24-oxa-5,8,11,14-tetrazatricyclo[14.6.2.019,23]tetracosa-1(23),19,21-triene-6,9,12-trione;toluene?
The canonical SMILES for 13-cyclopropyl-10-(2-hydroxypropan-2-yl)-11-methyl-24-oxa-5,8,11,14-tetrazatricyclo[14.6.2.019,23]tetracosa-1(23),19,21-triene-6,9,12-trione;toluene is CN1C(=O)C(C2CC2)NCC2CCc3cccc(c3O2)CCCNC(=O)CNC(=O)C1C(C)(C)O.Cc1ccccc1.
What is the InChIKey of 13-cyclopropyl-10-(2-hydroxypropan-2-yl)-11-methyl-24-oxa-5,8,11,14-tetrazatricyclo[14.6.2.019,23]tetracosa-1(23),19,21-triene-6,9,12-trione;toluene?
The InChIKey is ORBFZFLOZRIWET-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H38N4O5.C7H8/c1-26(2,34)23-24(32)29-15-20(31)27-13-5-8-17-6-4-7-18-11-12-19(35-22(17)18)14-28-21(16-9-10-16)25(33)30(23)3;1-7-5-3-2-4-6-7/h4,6-7,16,19,21,23,28,34H,5,8-15H2,1-3H3,(H,27,31)(H,29,32);2-6H,1H3.
What are the key properties of 13-cyclopropyl-10-(2-hydroxypropan-2-yl)-11-methyl-24-oxa-5,8,11,14-tetrazatricyclo[14.6.2.019,23]tetracosa-1(23),19,21-triene-6,9,12-trione;toluene?
13-cyclopropyl-10-(2-hydroxypropan-2-yl)-11-methyl-24-oxa-5,8,11,14-tetrazatricyclo[14.6.2.019,23]tetracosa-1(23),19,21-triene-6,9,12-trione;toluene has a molecular weight of 578.75 g/mol, XLogP of 2.52, 2 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 13-cyclopropyl-10-(2-hydroxypropan-2-yl)-11-methyl-24-oxa-5,8,11,14-tetrazatricyclo[14.6.2.019,23]tetracosa-1(23),19,21-triene-6,9,12-trione;toluene is sourced from PubChem (CID 143377193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).