ethyl (19S)-10,19-diethyl-19-hydroxy-14,18-dioxo-17-oxa-3,6,13-triazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaene-7-carboxylate

C24H23N3O6 — CID 10411417

IUPACethyl (19S)-10,19-diethyl-19-hydroxy-14,18-dioxo-17-oxa-3,6,13-triazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaene-7-carboxylate
SMILESCCOC(=O)c1cc2c(CC)c3c(nc2cn1)-c1cc2c(c(=O)n1C3)COC(=O)[C@]2(O)CC
InChIInChI=1S/C24H23N3O6/c1-4-12-13-7-17(22(29)32-6-3)25-9-18(13)26-20-14(12)10-27-19(20)8-16-15(21(27)28)11-33-23(30)24(16,31)5-2/h7-9,31H,4-6,10-11H2,1-3H3/t24-/m0/s1
InChIKeyLGGHNXJJDWXYGA-DEOSSOPVSA-N
MW449.46 g/mol
LogP2.21
Rot. Bonds4

About ethyl (19S)-10,19-diethyl-19-hydroxy-14,18-dioxo-17-oxa-3,6,13-triazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaene-7-carboxylate

ethyl (19S)-10,19-diethyl-19-hydroxy-14,18-dioxo-17-oxa-3,6,13-triazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaene-7-carboxylate (PubChem CID 10411417) has the molecular formula C24H23N3O6 and a molecular weight of 449.46 g/mol. Its IUPAC name is ethyl (19S)-10,19-diethyl-19-hydroxy-14,18-dioxo-17-oxa-3,6,13-triazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaene-7-carboxylate.

Molecular Properties

Compound Nameethyl (19S)-10,19-diethyl-19-hydroxy-14,18-dioxo-17-oxa-3,6,13-triazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaene-7-carboxylate
PubChem CID10411417
Molecular FormulaC24H23N3O6
Molecular Weight449.46 g/mol
Exact Mass449.16
IUPAC Nameethyl (19S)-10,19-diethyl-19-hydroxy-14,18-dioxo-17-oxa-3,6,13-triazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaene-7-carboxylate
SMILESCCOC(=O)c1cc2c(CC)c3c(nc2cn1)-c1cc2c(c(=O)n1C3)COC(=O)[C@]2(O)CC
InChIInChI=1S/C24H23N3O6/c1-4-12-13-7-17(22(29)32-6-3)25-9-18(13)26-20-14(12)10-27-19(20)8-16-15(21(27)28)11-33-23(30)24(16,31)5-2/h7-9,31H,4-6,10-11H2,1-3H3/t24-/m0/s1
InChIKeyLGGHNXJJDWXYGA-DEOSSOPVSA-N
XLogP2.21
TPSA120.61 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.46
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze ethyl (19S)-10,19-diethyl-19-hydroxy-14,18-dioxo-17-oxa-3,6,13-triazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaene-7-carboxylate 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 ethyl (19S)-10,19-diethyl-19-hydroxy-14,18-dioxo-17-oxa-3,6,13-triazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaene-7-carboxylate?
The IUPAC name of ethyl (19S)-10,19-diethyl-19-hydroxy-14,18-dioxo-17-oxa-3,6,13-triazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaene-7-carboxylate (CID 10411417) is ethyl (19S)-10,19-diethyl-19-hydroxy-14,18-dioxo-17-oxa-3,6,13-triazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaene-7-carboxylate.
What is the SMILES notation for ethyl (19S)-10,19-diethyl-19-hydroxy-14,18-dioxo-17-oxa-3,6,13-triazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaene-7-carboxylate?
The canonical SMILES for ethyl (19S)-10,19-diethyl-19-hydroxy-14,18-dioxo-17-oxa-3,6,13-triazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaene-7-carboxylate is CCOC(=O)c1cc2c(CC)c3c(nc2cn1)-c1cc2c(c(=O)n1C3)COC(=O)[C@]2(O)CC.
What is the InChIKey of ethyl (19S)-10,19-diethyl-19-hydroxy-14,18-dioxo-17-oxa-3,6,13-triazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaene-7-carboxylate?
The InChIKey is LGGHNXJJDWXYGA-DEOSSOPVSA-N. The full InChI is InChI=1S/C24H23N3O6/c1-4-12-13-7-17(22(29)32-6-3)25-9-18(13)26-20-14(12)10-27-19(20)8-16-15(21(27)28)11-33-23(30)24(16,31)5-2/h7-9,31H,4-6,10-11H2,1-3H3/t24-/m0/s1.
What are the key properties of ethyl (19S)-10,19-diethyl-19-hydroxy-14,18-dioxo-17-oxa-3,6,13-triazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaene-7-carboxylate?
ethyl (19S)-10,19-diethyl-19-hydroxy-14,18-dioxo-17-oxa-3,6,13-triazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaene-7-carboxylate has a molecular weight of 449.46 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (19S)-10,19-diethyl-19-hydroxy-14,18-dioxo-17-oxa-3,6,13-triazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaene-7-carboxylate is sourced from PubChem (CID 10411417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).