15,16-dimethoxy-21-methyl-5,7-dioxa-21-azapentacyclo[11.8.0.02,10.04,8.014,19]henicosane

C21H35NO4 — CID 163172353

IUPAC15,16-dimethoxy-21-methyl-5,7-dioxa-21-azapentacyclo[11.8.0.02,10.04,8.014,19]henicosane
SMILESCOC1CCC2CN(C)C3C4CC5OCOC5CC4CCC3C2C1OC
InChIInChI=1S/C21H35NO4/c1-22-10-13-5-7-16(23-2)21(24-3)19(13)14-6-4-12-8-17-18(26-11-25-17)9-15(12)20(14)22/h12-21H,4-11H2,1-3H3
InChIKeyCGUXQOJQTIUYSE-UHFFFAOYSA-N
MW365.51 g/mol
LogP2.53
Rot. Bonds2

About 15,16-dimethoxy-21-methyl-5,7-dioxa-21-azapentacyclo[11.8.0.02,10.04,8.014,19]henicosane

15,16-dimethoxy-21-methyl-5,7-dioxa-21-azapentacyclo[11.8.0.02,10.04,8.014,19]henicosane (PubChem CID 163172353) has the molecular formula C21H35NO4 and a molecular weight of 365.51 g/mol. Its IUPAC name is 15,16-dimethoxy-21-methyl-5,7-dioxa-21-azapentacyclo[11.8.0.02,10.04,8.014,19]henicosane.

Molecular Properties

Compound Name15,16-dimethoxy-21-methyl-5,7-dioxa-21-azapentacyclo[11.8.0.02,10.04,8.014,19]henicosane
PubChem CID163172353
Molecular FormulaC21H35NO4
Molecular Weight365.51 g/mol
Exact Mass365.26
IUPAC Name15,16-dimethoxy-21-methyl-5,7-dioxa-21-azapentacyclo[11.8.0.02,10.04,8.014,19]henicosane
SMILESCOC1CCC2CN(C)C3C4CC5OCOC5CC4CCC3C2C1OC
InChIInChI=1S/C21H35NO4/c1-22-10-13-5-7-16(23-2)21(24-3)19(13)14-6-4-12-8-17-18(26-11-25-17)9-15(12)20(14)22/h12-21H,4-11H2,1-3H3
InChIKeyCGUXQOJQTIUYSE-UHFFFAOYSA-N
XLogP2.53
TPSA40.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.51
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 15,16-dimethoxy-21-methyl-5,7-dioxa-21-azapentacyclo[11.8.0.02,10.04,8.014,19]henicosane with MolForge

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Related Compounds

1-(3a,4,5,6,7,7a-hexahydro-1,3-benzodioxol-5-yl)-6,7-dimethoxy-2-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline
CID 163174051
3,16,17-trimethoxy-5,7-dioxa-13-azapentacyclo[11.8.0.02,10.04,8.015,20]henicosane
CID 163127425
16,17-dimethoxy-5,7-dioxa-13-azapentacyclo[11.8.0.02,10.04,8.015,20]henicosan-11-ol
CID 163118242
(11S)-16,17-dimethoxy-5,7-dioxa-13-azapentacyclo[11.8.0.02,10.04,8.015,20]henicosan-11-ol
CID 163118246
(8S)-3-methyl-3-azatricyclo[3.3.0.02,8]octane
CID 130224123
16-methoxy-6,8-dioxa-1-azoniapentacyclo[11.8.0.03,11.05,9.014,19]henicosan-17-ol
CID 163173981
4-[(6-methyl-4,4a,5,7,8,8a,9,9a-octahydro-3aH-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)methyl]cyclohexan-1-ol
CID 162809814
6-amino-4-(2-methoxycyclohexyl)-13,15-dioxa-7-azatetracyclo[8.7.0.02,7.012,16]heptadecane-5-carbonitrile
CID 163170456
4,5,7-trimethoxy-3a,4,5,6,7,7a-hexahydro-1,3-benzodioxole
CID 140529080
(13S)-10-methoxy-16-methyl-13-prop-1-en-2-yl-3,5,14-trioxa-16-azatetracyclo[7.7.0.02,6.011,15]hexadecane
CID 163152993
2,9,10-trimethoxy-1,2,3,4,4a,5,6,7,8,8a,9,10,11,12,12a,13,13a,13b-octadecahydroisoquinolino[2,1-b]isoquinolin-7-ium-3-ol
CID 163119712
2-[(6-methoxy-2-methyl-2-azabicyclo[2.2.1]heptan-7-yl)amino]acetonitrile
CID 166764053

Frequently Asked Questions

What is the IUPAC name of 15,16-dimethoxy-21-methyl-5,7-dioxa-21-azapentacyclo[11.8.0.02,10.04,8.014,19]henicosane?
The IUPAC name of 15,16-dimethoxy-21-methyl-5,7-dioxa-21-azapentacyclo[11.8.0.02,10.04,8.014,19]henicosane (CID 163172353) is 15,16-dimethoxy-21-methyl-5,7-dioxa-21-azapentacyclo[11.8.0.02,10.04,8.014,19]henicosane.
What is the SMILES notation for 15,16-dimethoxy-21-methyl-5,7-dioxa-21-azapentacyclo[11.8.0.02,10.04,8.014,19]henicosane?
The canonical SMILES for 15,16-dimethoxy-21-methyl-5,7-dioxa-21-azapentacyclo[11.8.0.02,10.04,8.014,19]henicosane is COC1CCC2CN(C)C3C4CC5OCOC5CC4CCC3C2C1OC.
What is the InChIKey of 15,16-dimethoxy-21-methyl-5,7-dioxa-21-azapentacyclo[11.8.0.02,10.04,8.014,19]henicosane?
The InChIKey is CGUXQOJQTIUYSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H35NO4/c1-22-10-13-5-7-16(23-2)21(24-3)19(13)14-6-4-12-8-17-18(26-11-25-17)9-15(12)20(14)22/h12-21H,4-11H2,1-3H3.
What are the key properties of 15,16-dimethoxy-21-methyl-5,7-dioxa-21-azapentacyclo[11.8.0.02,10.04,8.014,19]henicosane?
15,16-dimethoxy-21-methyl-5,7-dioxa-21-azapentacyclo[11.8.0.02,10.04,8.014,19]henicosane has a molecular weight of 365.51 g/mol, XLogP of 2.53, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 15,16-dimethoxy-21-methyl-5,7-dioxa-21-azapentacyclo[11.8.0.02,10.04,8.014,19]henicosane is sourced from PubChem (CID 163172353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).