9-methoxy-15-(oxan-2-yloxy)-5,7-dioxa-12-azapentacyclo[10.5.2.01,13.02,10.04,8]nonadeca-2,4(8),9-trien-17-ol

C22H29NO6 — CID 535121

IUPAC9-methoxy-15-(oxan-2-yloxy)-5,7-dioxa-12-azapentacyclo[10.5.2.01,13.02,10.04,8]nonadeca-2,4(8),9-trien-17-ol
SMILESCOc1c2c(cc3c1OCO3)C13CCN(C2)C1CC(OC1CCCCO1)CC3O
InChIInChI=1S/C22H29NO6/c1-25-20-14-11-23-6-5-22(15(14)10-16-21(20)28-12-27-16)17(23)8-13(9-18(22)24)29-19-4-2-3-7-26-19/h10,13,17-19,24H,2-9,11-12H2,1H3
InChIKeyDAXXDINROIEVBQ-UHFFFAOYSA-N
MW403.48 g/mol
LogP2.32
Rot. Bonds3

About 9-methoxy-15-(oxan-2-yloxy)-5,7-dioxa-12-azapentacyclo[10.5.2.01,13.02,10.04,8]nonadeca-2,4(8),9-trien-17-ol

9-methoxy-15-(oxan-2-yloxy)-5,7-dioxa-12-azapentacyclo[10.5.2.01,13.02,10.04,8]nonadeca-2,4(8),9-trien-17-ol (PubChem CID 535121) has the molecular formula C22H29NO6 and a molecular weight of 403.48 g/mol. Its IUPAC name is 9-methoxy-15-(oxan-2-yloxy)-5,7-dioxa-12-azapentacyclo[10.5.2.01,13.02,10.04,8]nonadeca-2,4(8),9-trien-17-ol.

Molecular Properties

Compound Name9-methoxy-15-(oxan-2-yloxy)-5,7-dioxa-12-azapentacyclo[10.5.2.01,13.02,10.04,8]nonadeca-2,4(8),9-trien-17-ol
PubChem CID535121
Molecular FormulaC22H29NO6
Molecular Weight403.48 g/mol
Exact Mass403.20
IUPAC Name9-methoxy-15-(oxan-2-yloxy)-5,7-dioxa-12-azapentacyclo[10.5.2.01,13.02,10.04,8]nonadeca-2,4(8),9-trien-17-ol
SMILESCOc1c2c(cc3c1OCO3)C13CCN(C2)C1CC(OC1CCCCO1)CC3O
InChIInChI=1S/C22H29NO6/c1-25-20-14-11-23-6-5-22(15(14)10-16-21(20)28-12-27-16)17(23)8-13(9-18(22)24)29-19-4-2-3-7-26-19/h10,13,17-19,24H,2-9,11-12H2,1H3
InChIKeyDAXXDINROIEVBQ-UHFFFAOYSA-N
XLogP2.32
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.48
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 9-methoxy-15-(oxan-2-yloxy)-5,7-dioxa-12-azapentacyclo[10.5.2.01,13.02,10.04,8]nonadeca-2,4(8),9-trien-17-ol with MolForge

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Related Compounds

(1S,13R,16S,17S)-9-methoxy-5,7-dioxa-12-azapentacyclo[10.5.2.01,13.02,10.04,8]nonadeca-2,4(8),9-triene-16,17-diol
CID 162893618
9-methoxy-5,7-dioxa-12-azapentacyclo[10.5.2.01,13.02,10.04,8]nonadeca-2,4(8),9,16-tetraen-15-one
CID 626982
(1S,13S,15R,18R)-15-methoxy-5,7-dioxa-12-azapentacyclo[10.5.2.01,13.02,10.04,8]nonadeca-2,4(8),9-trien-18-ol
CID 163038655
4,6,12-trimethoxy-9-azatetracyclo[7.5.2.01,10.02,7]hexadeca-2,4,6-triene-5,15-diol
CID 162910365
17-methoxy-5,7-dioxa-12-azapentacyclo[10.5.2.01,13.02,10.04,8]nonadeca-2,4(8),9-triene
CID 625513
[(1S,13S,16S,17R)-17-hydroxy-5,7-dioxa-12-azapentacyclo[10.5.2.01,13.02,10.04,8]nonadeca-2,4(8),9-trien-16-yl] acetate
CID 52937386
3-(oxan-2-yloxy)cyclobutan-1-ol
CID 155584587
3-[4-methoxy-6-[2-[2-(oxan-2-yloxy)ethyl]phenyl]-1,3-benzodioxol-5-yl]-N-methylpropanamide
CID 11282147
3-[[3-[(2R)-oxan-2-yl]oxycyclobutyl]methyl]aniline
CID 163957805
1-(7-fluoro-6-methoxy-1,3-benzodioxol-5-yl)cyclopropan-1-ol
CID 117324895
bis(4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinoline);hydrate
CID 71586830
4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinoline bromide
CID 51371394

Frequently Asked Questions

What is the IUPAC name of 9-methoxy-15-(oxan-2-yloxy)-5,7-dioxa-12-azapentacyclo[10.5.2.01,13.02,10.04,8]nonadeca-2,4(8),9-trien-17-ol?
The IUPAC name of 9-methoxy-15-(oxan-2-yloxy)-5,7-dioxa-12-azapentacyclo[10.5.2.01,13.02,10.04,8]nonadeca-2,4(8),9-trien-17-ol (CID 535121) is 9-methoxy-15-(oxan-2-yloxy)-5,7-dioxa-12-azapentacyclo[10.5.2.01,13.02,10.04,8]nonadeca-2,4(8),9-trien-17-ol.
What is the SMILES notation for 9-methoxy-15-(oxan-2-yloxy)-5,7-dioxa-12-azapentacyclo[10.5.2.01,13.02,10.04,8]nonadeca-2,4(8),9-trien-17-ol?
The canonical SMILES for 9-methoxy-15-(oxan-2-yloxy)-5,7-dioxa-12-azapentacyclo[10.5.2.01,13.02,10.04,8]nonadeca-2,4(8),9-trien-17-ol is COc1c2c(cc3c1OCO3)C13CCN(C2)C1CC(OC1CCCCO1)CC3O.
What is the InChIKey of 9-methoxy-15-(oxan-2-yloxy)-5,7-dioxa-12-azapentacyclo[10.5.2.01,13.02,10.04,8]nonadeca-2,4(8),9-trien-17-ol?
The InChIKey is DAXXDINROIEVBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29NO6/c1-25-20-14-11-23-6-5-22(15(14)10-16-21(20)28-12-27-16)17(23)8-13(9-18(22)24)29-19-4-2-3-7-26-19/h10,13,17-19,24H,2-9,11-12H2,1H3.
What are the key properties of 9-methoxy-15-(oxan-2-yloxy)-5,7-dioxa-12-azapentacyclo[10.5.2.01,13.02,10.04,8]nonadeca-2,4(8),9-trien-17-ol?
9-methoxy-15-(oxan-2-yloxy)-5,7-dioxa-12-azapentacyclo[10.5.2.01,13.02,10.04,8]nonadeca-2,4(8),9-trien-17-ol has a molecular weight of 403.48 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methoxy-15-(oxan-2-yloxy)-5,7-dioxa-12-azapentacyclo[10.5.2.01,13.02,10.04,8]nonadeca-2,4(8),9-trien-17-ol is sourced from PubChem (CID 535121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).