(11S)-16,17-dimethoxy-5,7-dioxa-13-azapentacyclo[11.8.0.02,10.04,8.015,20]henicosan-11-ol

C20H33NO5 — CID 163118246

IUPAC(11S)-16,17-dimethoxy-5,7-dioxa-13-azapentacyclo[11.8.0.02,10.04,8.015,20]henicosan-11-ol
SMILESCOC1CCC2CC3C4CC5OCOC5CC4[C@H](O)CN3CC2C1OC
InChIInChI=1S/C20H33NO5/c1-23-17-4-3-11-5-15-12-6-18-19(26-10-25-18)7-13(12)16(22)9-21(15)8-14(11)20(17)24-2/h11-20,22H,3-10H2,1-2H3/t11?,12?,13?,14?,15?,16-,17?,18?,19?,20?/m1/s1
InChIKeyIMXHQBZDNQWVPM-FCTIFIRSSA-N
MW367.49 g/mol
LogP1.26
Rot. Bonds2

About (11S)-16,17-dimethoxy-5,7-dioxa-13-azapentacyclo[11.8.0.02,10.04,8.015,20]henicosan-11-ol

(11S)-16,17-dimethoxy-5,7-dioxa-13-azapentacyclo[11.8.0.02,10.04,8.015,20]henicosan-11-ol (PubChem CID 163118246) has the molecular formula C20H33NO5 and a molecular weight of 367.49 g/mol. Its IUPAC name is (11S)-16,17-dimethoxy-5,7-dioxa-13-azapentacyclo[11.8.0.02,10.04,8.015,20]henicosan-11-ol.

Molecular Properties

Compound Name(11S)-16,17-dimethoxy-5,7-dioxa-13-azapentacyclo[11.8.0.02,10.04,8.015,20]henicosan-11-ol
PubChem CID163118246
Molecular FormulaC20H33NO5
Molecular Weight367.49 g/mol
Exact Mass367.24
IUPAC Name(11S)-16,17-dimethoxy-5,7-dioxa-13-azapentacyclo[11.8.0.02,10.04,8.015,20]henicosan-11-ol
SMILESCOC1CCC2CC3C4CC5OCOC5CC4[C@H](O)CN3CC2C1OC
InChIInChI=1S/C20H33NO5/c1-23-17-4-3-11-5-15-12-6-18-19(26-10-25-18)7-13(12)16(22)9-21(15)8-14(11)20(17)24-2/h11-20,22H,3-10H2,1-2H3/t11?,12?,13?,14?,15?,16-,17?,18?,19?,20?/m1/s1
InChIKeyIMXHQBZDNQWVPM-FCTIFIRSSA-N
XLogP1.26
TPSA60.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (11S)-16,17-dimethoxy-5,7-dioxa-13-azapentacyclo[11.8.0.02,10.04,8.015,20]henicosan-11-ol with MolForge

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Related Compounds

16,17-dimethoxy-5,7-dioxa-13-azapentacyclo[11.8.0.02,10.04,8.015,20]henicosan-11-ol
CID 163118242
3,16,17-trimethoxy-5,7-dioxa-13-azapentacyclo[11.8.0.02,10.04,8.015,20]henicosane
CID 163127425
2,3,9-trimethoxy-2,3,4,4a,5,6,8,8a,9,10,11,12,12a,13,13a,13b-hexadecahydro-1H-isoquinolino[2,1-b]isoquinoline-4,10-diol
CID 163169795
15,16-dimethoxy-21-methyl-5,7-dioxa-21-azapentacyclo[11.8.0.02,10.04,8.014,19]henicosane
CID 163172353
2,9,10-triethoxy-2,3,4,4a,5,6,8,8a,9,10,11,12,12a,13,13a,13b-hexadecahydro-1H-isoquinolino[2,1-b]isoquinolin-3-ol
CID 163144457
16-methoxy-6,8-dioxa-1-azoniapentacyclo[11.8.0.03,11.05,9.014,19]henicosan-17-ol
CID 163173981
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
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-methoxy-4-(oxiran-2-yl)cyclohexan-1-ol
CID 23118753
2,3,9,10-tetraethoxy-2,3,4,4a,5,6,8,8a,9,10,11,12,12a,13,13a,13b-hexadecahydro-1H-isoquinolino[2,1-b]isoquinoline
CID 163143001
6-amino-4-(2-methoxycyclohexyl)-13,15-dioxa-7-azatetracyclo[8.7.0.02,7.012,16]heptadecane-5-carbonitrile
CID 163170456
4-(3,4-dimethoxypyrrolidin-1-yl)pyrrolidin-3-ol
CID 103533926

Frequently Asked Questions

What is the IUPAC name of (11S)-16,17-dimethoxy-5,7-dioxa-13-azapentacyclo[11.8.0.02,10.04,8.015,20]henicosan-11-ol?
The IUPAC name of (11S)-16,17-dimethoxy-5,7-dioxa-13-azapentacyclo[11.8.0.02,10.04,8.015,20]henicosan-11-ol (CID 163118246) is (11S)-16,17-dimethoxy-5,7-dioxa-13-azapentacyclo[11.8.0.02,10.04,8.015,20]henicosan-11-ol.
What is the SMILES notation for (11S)-16,17-dimethoxy-5,7-dioxa-13-azapentacyclo[11.8.0.02,10.04,8.015,20]henicosan-11-ol?
The canonical SMILES for (11S)-16,17-dimethoxy-5,7-dioxa-13-azapentacyclo[11.8.0.02,10.04,8.015,20]henicosan-11-ol is COC1CCC2CC3C4CC5OCOC5CC4[C@H](O)CN3CC2C1OC.
What is the InChIKey of (11S)-16,17-dimethoxy-5,7-dioxa-13-azapentacyclo[11.8.0.02,10.04,8.015,20]henicosan-11-ol?
The InChIKey is IMXHQBZDNQWVPM-FCTIFIRSSA-N. The full InChI is InChI=1S/C20H33NO5/c1-23-17-4-3-11-5-15-12-6-18-19(26-10-25-18)7-13(12)16(22)9-21(15)8-14(11)20(17)24-2/h11-20,22H,3-10H2,1-2H3/t11?,12?,13?,14?,15?,16-,17?,18?,19?,20?/m1/s1.
What are the key properties of (11S)-16,17-dimethoxy-5,7-dioxa-13-azapentacyclo[11.8.0.02,10.04,8.015,20]henicosan-11-ol?
(11S)-16,17-dimethoxy-5,7-dioxa-13-azapentacyclo[11.8.0.02,10.04,8.015,20]henicosan-11-ol has a molecular weight of 367.49 g/mol, XLogP of 1.26, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (11S)-16,17-dimethoxy-5,7-dioxa-13-azapentacyclo[11.8.0.02,10.04,8.015,20]henicosan-11-ol is sourced from PubChem (CID 163118246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).