18-(dimethoxymethyl)-4-(dimethylamino)-8-ethenyl-11,16-dimethyl-19-(trifluoromethyl)-6-oxa-7-azapentacyclo[11.8.0.03,11.05,9.015,20]henicosa-5(9),7,15(20),16,18-pentaene-10,12,14-trione

C29H31F3N2O6 — CID 90720454

IUPAC18-(dimethoxymethyl)-4-(dimethylamino)-8-ethenyl-11,16-dimethyl-19-(trifluoromethyl)-6-oxa-7-azapentacyclo[11.8.0.03,11.05,9.015,20]henicosa-5(9),7,15(20),16,18-pentaene-10,12,14-trione
SMILESC=Cc1noc2c1C(=O)C1(C)C(=O)C3C(=O)c4c(C)cc(C(OC)OC)c(C(F)(F)F)c4CC3CC1C2N(C)C
InChIInChI=1S/C29H31F3N2O6/c1-8-17-20-24(40-33-17)22(34(4)5)16-11-13-10-14-18(23(35)19(13)25(36)28(16,3)26(20)37)12(2)9-15(27(38-6)39-7)21(14)29(30,31)32/h8-9,13,16,19,22,27H,1,10-11H2,2-7H3
InChIKeyQOEHCAUVDQBDRR-UHFFFAOYSA-N
MW560.57 g/mol
LogP5.00
Rot. Bonds5

About 18-(dimethoxymethyl)-4-(dimethylamino)-8-ethenyl-11,16-dimethyl-19-(trifluoromethyl)-6-oxa-7-azapentacyclo[11.8.0.03,11.05,9.015,20]henicosa-5(9),7,15(20),16,18-pentaene-10,12,14-trione

18-(dimethoxymethyl)-4-(dimethylamino)-8-ethenyl-11,16-dimethyl-19-(trifluoromethyl)-6-oxa-7-azapentacyclo[11.8.0.03,11.05,9.015,20]henicosa-5(9),7,15(20),16,18-pentaene-10,12,14-trione (PubChem CID 90720454) has the molecular formula C29H31F3N2O6 and a molecular weight of 560.57 g/mol. Its IUPAC name is 18-(dimethoxymethyl)-4-(dimethylamino)-8-ethenyl-11,16-dimethyl-19-(trifluoromethyl)-6-oxa-7-azapentacyclo[11.8.0.03,11.05,9.015,20]henicosa-5(9),7,15(20),16,18-pentaene-10,12,14-trione.

Molecular Properties

Compound Name18-(dimethoxymethyl)-4-(dimethylamino)-8-ethenyl-11,16-dimethyl-19-(trifluoromethyl)-6-oxa-7-azapentacyclo[11.8.0.03,11.05,9.015,20]henicosa-5(9),7,15(20),16,18-pentaene-10,12,14-trione
PubChem CID90720454
Molecular FormulaC29H31F3N2O6
Molecular Weight560.57 g/mol
Exact Mass560.21
IUPAC Name18-(dimethoxymethyl)-4-(dimethylamino)-8-ethenyl-11,16-dimethyl-19-(trifluoromethyl)-6-oxa-7-azapentacyclo[11.8.0.03,11.05,9.015,20]henicosa-5(9),7,15(20),16,18-pentaene-10,12,14-trione
SMILESC=Cc1noc2c1C(=O)C1(C)C(=O)C3C(=O)c4c(C)cc(C(OC)OC)c(C(F)(F)F)c4CC3CC1C2N(C)C
InChIInChI=1S/C29H31F3N2O6/c1-8-17-20-24(40-33-17)22(34(4)5)16-11-13-10-14-18(23(35)19(13)25(36)28(16,3)26(20)37)12(2)9-15(27(38-6)39-7)21(14)29(30,31)32/h8-9,13,16,19,22,27H,1,10-11H2,2-7H3
InChIKeyQOEHCAUVDQBDRR-UHFFFAOYSA-N
XLogP5.00
TPSA98.94 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500560.57
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 18-(dimethoxymethyl)-4-(dimethylamino)-8-ethenyl-11,16-dimethyl-19-(trifluoromethyl)-6-oxa-7-azapentacyclo[11.8.0.03,11.05,9.015,20]henicosa-5(9),7,15(20),16,18-pentaene-10,12,14-trione 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 18-(dimethoxymethyl)-4-(dimethylamino)-8-ethenyl-11,16-dimethyl-19-(trifluoromethyl)-6-oxa-7-azapentacyclo[11.8.0.03,11.05,9.015,20]henicosa-5(9),7,15(20),16,18-pentaene-10,12,14-trione?
The IUPAC name of 18-(dimethoxymethyl)-4-(dimethylamino)-8-ethenyl-11,16-dimethyl-19-(trifluoromethyl)-6-oxa-7-azapentacyclo[11.8.0.03,11.05,9.015,20]henicosa-5(9),7,15(20),16,18-pentaene-10,12,14-trione (CID 90720454) is 18-(dimethoxymethyl)-4-(dimethylamino)-8-ethenyl-11,16-dimethyl-19-(trifluoromethyl)-6-oxa-7-azapentacyclo[11.8.0.03,11.05,9.015,20]henicosa-5(9),7,15(20),16,18-pentaene-10,12,14-trione.
What is the SMILES notation for 18-(dimethoxymethyl)-4-(dimethylamino)-8-ethenyl-11,16-dimethyl-19-(trifluoromethyl)-6-oxa-7-azapentacyclo[11.8.0.03,11.05,9.015,20]henicosa-5(9),7,15(20),16,18-pentaene-10,12,14-trione?
The canonical SMILES for 18-(dimethoxymethyl)-4-(dimethylamino)-8-ethenyl-11,16-dimethyl-19-(trifluoromethyl)-6-oxa-7-azapentacyclo[11.8.0.03,11.05,9.015,20]henicosa-5(9),7,15(20),16,18-pentaene-10,12,14-trione is C=Cc1noc2c1C(=O)C1(C)C(=O)C3C(=O)c4c(C)cc(C(OC)OC)c(C(F)(F)F)c4CC3CC1C2N(C)C.
What is the InChIKey of 18-(dimethoxymethyl)-4-(dimethylamino)-8-ethenyl-11,16-dimethyl-19-(trifluoromethyl)-6-oxa-7-azapentacyclo[11.8.0.03,11.05,9.015,20]henicosa-5(9),7,15(20),16,18-pentaene-10,12,14-trione?
The InChIKey is QOEHCAUVDQBDRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31F3N2O6/c1-8-17-20-24(40-33-17)22(34(4)5)16-11-13-10-14-18(23(35)19(13)25(36)28(16,3)26(20)37)12(2)9-15(27(38-6)39-7)21(14)29(30,31)32/h8-9,13,16,19,22,27H,1,10-11H2,2-7H3.
What are the key properties of 18-(dimethoxymethyl)-4-(dimethylamino)-8-ethenyl-11,16-dimethyl-19-(trifluoromethyl)-6-oxa-7-azapentacyclo[11.8.0.03,11.05,9.015,20]henicosa-5(9),7,15(20),16,18-pentaene-10,12,14-trione?
18-(dimethoxymethyl)-4-(dimethylamino)-8-ethenyl-11,16-dimethyl-19-(trifluoromethyl)-6-oxa-7-azapentacyclo[11.8.0.03,11.05,9.015,20]henicosa-5(9),7,15(20),16,18-pentaene-10,12,14-trione has a molecular weight of 560.57 g/mol, XLogP of 5.00, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 18-(dimethoxymethyl)-4-(dimethylamino)-8-ethenyl-11,16-dimethyl-19-(trifluoromethyl)-6-oxa-7-azapentacyclo[11.8.0.03,11.05,9.015,20]henicosa-5(9),7,15(20),16,18-pentaene-10,12,14-trione is sourced from PubChem (CID 90720454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).