18-methoxy-11,15-dimethyl-5,7,12-trioxa-15-azapentacyclo[11.7.0.01,16.02,10.04,8]icosa-2,4(8),9,19-tetraene

C19H23NO4 — CID 162817592

IUPAC18-methoxy-11,15-dimethyl-5,7,12-trioxa-15-azapentacyclo[11.7.0.01,16.02,10.04,8]icosa-2,4(8),9,19-tetraene
SMILESCOC1C=CC23c4cc5c(cc4C(C)OC2CN(C)C3C1)OCO5
InChIInChI=1S/C19H23NO4/c1-11-13-7-15-16(23-10-22-15)8-14(13)19-5-4-12(21-3)6-17(19)20(2)9-18(19)24-11/h4-5,7-8,11-12,17-18H,6,9-10H2,1-3H3
InChIKeyBEUAXUHESIYYCT-UHFFFAOYSA-N
MW329.40 g/mol
LogP2.40
Rot. Bonds1

About 18-methoxy-11,15-dimethyl-5,7,12-trioxa-15-azapentacyclo[11.7.0.01,16.02,10.04,8]icosa-2,4(8),9,19-tetraene

18-methoxy-11,15-dimethyl-5,7,12-trioxa-15-azapentacyclo[11.7.0.01,16.02,10.04,8]icosa-2,4(8),9,19-tetraene (PubChem CID 162817592) has the molecular formula C19H23NO4 and a molecular weight of 329.40 g/mol. Its IUPAC name is 18-methoxy-11,15-dimethyl-5,7,12-trioxa-15-azapentacyclo[11.7.0.01,16.02,10.04,8]icosa-2,4(8),9,19-tetraene.

Molecular Properties

Compound Name18-methoxy-11,15-dimethyl-5,7,12-trioxa-15-azapentacyclo[11.7.0.01,16.02,10.04,8]icosa-2,4(8),9,19-tetraene
PubChem CID162817592
Molecular FormulaC19H23NO4
Molecular Weight329.40 g/mol
Exact Mass329.16
IUPAC Name18-methoxy-11,15-dimethyl-5,7,12-trioxa-15-azapentacyclo[11.7.0.01,16.02,10.04,8]icosa-2,4(8),9,19-tetraene
SMILESCOC1C=CC23c4cc5c(cc4C(C)OC2CN(C)C3C1)OCO5
InChIInChI=1S/C19H23NO4/c1-11-13-7-15-16(23-10-22-15)8-14(13)19-5-4-12(21-3)6-17(19)20(2)9-18(19)24-11/h4-5,7-8,11-12,17-18H,6,9-10H2,1-3H3
InChIKeyBEUAXUHESIYYCT-UHFFFAOYSA-N
XLogP2.40
TPSA40.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 18-methoxy-11,15-dimethyl-5,7,12-trioxa-15-azapentacyclo[11.7.0.01,16.02,10.04,8]icosa-2,4(8),9,19-tetraene with MolForge

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Related Compounds

(1S,11R,13R,16S,18S)-11,18-dimethoxy-15-methyl-5,7,12-trioxa-15-azapentacyclo[11.7.0.01,16.02,10.04,8]icosa-2,4(8),9,19-tetraene
CID 10926024
(1R,11R,13S,18S)-18-methoxy-15-methyl-5,7,12-trioxa-15-azapentacyclo[11.7.0.01,16.02,10.04,8]icosa-2,4(8),9,19-tetraen-11-ol
CID 162894671
(1R,11R,13R,16S,18S)-18-methoxy-15-methyl-5,7,12-trioxa-15-azapentacyclo[11.7.0.01,16.02,10.04,8]icosa-2,4(8),9,19-tetraen-11-ol
CID 95769000
(13R,16S,18S)-18-methoxy-15-methyl-5,7,12-trioxa-15-azapentacyclo[11.7.0.01,16.02,10.04,8]icosa-2,4(8),9,19-tetraen-11-ol
CID 5320704
11-methoxy-15-methyl-5,7,12-trioxa-15-azapentacyclo[11.7.0.01,16.02,10.04,8]icosa-2,4(8),9,19-tetraen-18-ol
CID 101147066
15-methoxy-18-methyl-5,7-dioxa-12-azapentacyclo[10.5.2.01,13.02,10.04,8]nonadeca-2,4(8),9,16-tetraen-11-ol
CID 588410
(1S,13S,15R,18S)-15-methoxy-5,7-dioxa-12-azapentacyclo[10.5.2.01,13.02,10.04,8]nonadeca-2,4(8),9,16-tetraene-11,18-diol
CID 165367463
(1R,13S,15S)-15-methoxy-5,7-dioxa-12-azapentacyclo[10.5.2.01,13.02,10.04,8]nonadeca-2,4(8),9,16-tetraene-11,18-diol
CID 21148541
[(1S,11S,13S,15R,18R)-18-hydroxy-15-methoxy-5,7-dioxa-12-azapentacyclo[10.5.2.01,13.02,10.04,8]nonadeca-2,4(8),9,16-tetraen-11-yl] acetate
CID 102484899
(1S,13S,15S,18S,20S)-15-methoxy-5,7,19-trioxa-12-azahexacyclo[10.5.3.01,13.02,10.04,8.018,20]icosa-2,4(8),9,16-tetraene
CID 70686930
6-hydroxy-5-[(1S,11S,13R,15S,18R)-18-hydroxy-15-methoxy-5,7-dioxa-12-azapentacyclo[10.5.2.01,13.02,10.04,8]nonadeca-2,4(8),9,16-tetraen-11-yl]-1,3-dimethylpyrimidine-2,4-dione
CID 98657409
(1S,11R,13R,15R)-15-methoxy-5,7-dioxa-12-azapentacyclo[10.5.2.01,13.02,10.04,8]nonadeca-2,4(8),9,16-tetraen-11-ol
CID 15226551

Frequently Asked Questions

What is the IUPAC name of 18-methoxy-11,15-dimethyl-5,7,12-trioxa-15-azapentacyclo[11.7.0.01,16.02,10.04,8]icosa-2,4(8),9,19-tetraene?
The IUPAC name of 18-methoxy-11,15-dimethyl-5,7,12-trioxa-15-azapentacyclo[11.7.0.01,16.02,10.04,8]icosa-2,4(8),9,19-tetraene (CID 162817592) is 18-methoxy-11,15-dimethyl-5,7,12-trioxa-15-azapentacyclo[11.7.0.01,16.02,10.04,8]icosa-2,4(8),9,19-tetraene.
What is the SMILES notation for 18-methoxy-11,15-dimethyl-5,7,12-trioxa-15-azapentacyclo[11.7.0.01,16.02,10.04,8]icosa-2,4(8),9,19-tetraene?
The canonical SMILES for 18-methoxy-11,15-dimethyl-5,7,12-trioxa-15-azapentacyclo[11.7.0.01,16.02,10.04,8]icosa-2,4(8),9,19-tetraene is COC1C=CC23c4cc5c(cc4C(C)OC2CN(C)C3C1)OCO5.
What is the InChIKey of 18-methoxy-11,15-dimethyl-5,7,12-trioxa-15-azapentacyclo[11.7.0.01,16.02,10.04,8]icosa-2,4(8),9,19-tetraene?
The InChIKey is BEUAXUHESIYYCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO4/c1-11-13-7-15-16(23-10-22-15)8-14(13)19-5-4-12(21-3)6-17(19)20(2)9-18(19)24-11/h4-5,7-8,11-12,17-18H,6,9-10H2,1-3H3.
What are the key properties of 18-methoxy-11,15-dimethyl-5,7,12-trioxa-15-azapentacyclo[11.7.0.01,16.02,10.04,8]icosa-2,4(8),9,19-tetraene?
18-methoxy-11,15-dimethyl-5,7,12-trioxa-15-azapentacyclo[11.7.0.01,16.02,10.04,8]icosa-2,4(8),9,19-tetraene has a molecular weight of 329.40 g/mol, XLogP of 2.40, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 18-methoxy-11,15-dimethyl-5,7,12-trioxa-15-azapentacyclo[11.7.0.01,16.02,10.04,8]icosa-2,4(8),9,19-tetraene is sourced from PubChem (CID 162817592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).