11-ethyl-6-methoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecane-3,4,8,16,18-pentol

C23H37NO7 — CID 162823049

IUPAC11-ethyl-6-methoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecane-3,4,8,16,18-pentol
SMILESCCN1CC2(COC)CCC(O)C34C1C(C(O)C23)C1(O)CC(OC)C2CC4C1(O)C2O
InChIInChI=1S/C23H37NO7/c1-4-24-9-20(10-30-2)6-5-14(25)22-13-7-11-12(31-3)8-21(28,23(13,29)19(11)27)15(18(22)24)16(26)17(20)22/h11-19,25-29H,4-10H2,1-3H3
InChIKeyIBLZVTWOJQLRST-UHFFFAOYSA-N
MW439.55 g/mol
LogP-1.04
Rot. Bonds4

About 11-ethyl-6-methoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecane-3,4,8,16,18-pentol

11-ethyl-6-methoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecane-3,4,8,16,18-pentol (PubChem CID 162823049) has the molecular formula C23H37NO7 and a molecular weight of 439.55 g/mol. Its IUPAC name is 11-ethyl-6-methoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecane-3,4,8,16,18-pentol.

Molecular Properties

Compound Name11-ethyl-6-methoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecane-3,4,8,16,18-pentol
PubChem CID162823049
Molecular FormulaC23H37NO7
Molecular Weight439.55 g/mol
Exact Mass439.26
IUPAC Name11-ethyl-6-methoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecane-3,4,8,16,18-pentol
SMILESCCN1CC2(COC)CCC(O)C34C1C(C(O)C23)C1(O)CC(OC)C2CC4C1(O)C2O
InChIInChI=1S/C23H37NO7/c1-4-24-9-20(10-30-2)6-5-14(25)22-13-7-11-12(31-3)8-21(28,23(13,29)19(11)27)15(18(22)24)16(26)17(20)22/h11-19,25-29H,4-10H2,1-3H3
InChIKeyIBLZVTWOJQLRST-UHFFFAOYSA-N
XLogP-1.04
TPSA122.85 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.55
LogP ≤ 5-1.04
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

Analyze 11-ethyl-6-methoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecane-3,4,8,16,18-pentol with MolForge

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Related Compounds

(1S,2R,3R,4S,6S,8R,9R,10S,13S,16S,17R,18S)-11-ethyl-6,18-dimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecane-4,8,9,16-tetrol
CID 51055156
(2R,3R,5S,6S,8R,13S,16S,17R,18S)-11-ethyl-6,18-dimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecane-4,8,9,16-tetrol
CID 165359540
(1S,2S,3R,4S,5S,6S,8R,9S,10S,13S,16S,17R,18S)-11-ethyl-6,18-dimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecane-4,8,9,16-tetrol
CID 76965028
(1S,2R,3R,4R,5S,6S,8R,9S,10S,13S,16S,17R,18S)-11-ethyl-6,18-dimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecane-4,8,9,16-tetrol
CID 162893578
(1S,2S,3S,4S,5R,6R,8S,9R,10R,13S,16S,17R,18R)-11-ethyl-6,18-dimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecane-4,8,16-triol
CID 162955783
(1S,2R,3R,4S,5S,6S,8R,9S,10S,13S,16R,17R,18S)-11-ethyl-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecane-4,8,9-triol
CID 131880018
(1S,2R,3R,4S,5R,6R,7S,8R,9S,10R,13S,16S,17R,18R)-11-ethyl-6,18-dimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecane-4,7,8,16-tetrol
CID 171360569
11-ethyl-6,18-dimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecane-4,7,8,16-tetrol
CID 14163819
(2R,3R,4S,6R,7S,8R,13S,17R)-11-ethyl-6,18-dimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecane-4,7,8,16-tetrol
CID 25199665
[(1S,2R,3R,4S,5R,6S,8R,10R,13S,16S,17R,18R)-11-ethyl-8,16,18-trihydroxy-6-methoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] benzoate
CID 134714908
(1R,2S,3R,4S,5S,6S,8S,9R,10R,13S,16S,17R,18R)-11-ethyl-6,18-dimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecane-2,4,8,16-tetrol
CID 122209057
[(6S,8R,13S)-11-ethyl-8,16-dihydroxy-6,18-dimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] acetate
CID 24883570

Frequently Asked Questions

What is the IUPAC name of 11-ethyl-6-methoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecane-3,4,8,16,18-pentol?
The IUPAC name of 11-ethyl-6-methoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecane-3,4,8,16,18-pentol (CID 162823049) is 11-ethyl-6-methoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecane-3,4,8,16,18-pentol.
What is the SMILES notation for 11-ethyl-6-methoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecane-3,4,8,16,18-pentol?
The canonical SMILES for 11-ethyl-6-methoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecane-3,4,8,16,18-pentol is CCN1CC2(COC)CCC(O)C34C1C(C(O)C23)C1(O)CC(OC)C2CC4C1(O)C2O.
What is the InChIKey of 11-ethyl-6-methoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecane-3,4,8,16,18-pentol?
The InChIKey is IBLZVTWOJQLRST-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H37NO7/c1-4-24-9-20(10-30-2)6-5-14(25)22-13-7-11-12(31-3)8-21(28,23(13,29)19(11)27)15(18(22)24)16(26)17(20)22/h11-19,25-29H,4-10H2,1-3H3.
What are the key properties of 11-ethyl-6-methoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecane-3,4,8,16,18-pentol?
11-ethyl-6-methoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecane-3,4,8,16,18-pentol has a molecular weight of 439.55 g/mol, XLogP of -1.04, 4 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 11-ethyl-6-methoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecane-3,4,8,16,18-pentol is sourced from PubChem (CID 162823049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).