14-ethyl-4,19-dimethoxy-16-methyl-9,11-dioxa-14-azaheptacyclo[10.7.2.12,5.01,13.03,8.08,12.016,20]docosane-6,21-diol

C24H37NO6 — CID 14264163

IUPAC14-ethyl-4,19-dimethoxy-16-methyl-9,11-dioxa-14-azaheptacyclo[10.7.2.12,5.01,13.03,8.08,12.016,20]docosane-6,21-diol
SMILESCCN1CC2(C)CCC(OC)C34C5CC6C(O)CC7(OCOC7(C(O)C23)C14)C5C6OC
InChIInChI=1S/C24H37NO6/c1-5-25-10-21(2)7-6-15(28-3)23-13-8-12-14(26)9-22(16(13)17(12)29-4)24(20(23)25,31-11-30-22)19(27)18(21)23/h12-20,26-27H,5-11H2,1-4H3
InChIKeyIVEHCMATGFXDGI-UHFFFAOYSA-N
MW435.56 g/mol
LogP1.01
Rot. Bonds3

About 14-ethyl-4,19-dimethoxy-16-methyl-9,11-dioxa-14-azaheptacyclo[10.7.2.12,5.01,13.03,8.08,12.016,20]docosane-6,21-diol

14-ethyl-4,19-dimethoxy-16-methyl-9,11-dioxa-14-azaheptacyclo[10.7.2.12,5.01,13.03,8.08,12.016,20]docosane-6,21-diol (PubChem CID 14264163) has the molecular formula C24H37NO6 and a molecular weight of 435.56 g/mol. Its IUPAC name is 14-ethyl-4,19-dimethoxy-16-methyl-9,11-dioxa-14-azaheptacyclo[10.7.2.12,5.01,13.03,8.08,12.016,20]docosane-6,21-diol.

Molecular Properties

Compound Name14-ethyl-4,19-dimethoxy-16-methyl-9,11-dioxa-14-azaheptacyclo[10.7.2.12,5.01,13.03,8.08,12.016,20]docosane-6,21-diol
PubChem CID14264163
Molecular FormulaC24H37NO6
Molecular Weight435.56 g/mol
Exact Mass435.26
IUPAC Name14-ethyl-4,19-dimethoxy-16-methyl-9,11-dioxa-14-azaheptacyclo[10.7.2.12,5.01,13.03,8.08,12.016,20]docosane-6,21-diol
SMILESCCN1CC2(C)CCC(OC)C34C5CC6C(O)CC7(OCOC7(C(O)C23)C14)C5C6OC
InChIInChI=1S/C24H37NO6/c1-5-25-10-21(2)7-6-15(28-3)23-13-8-12-14(26)9-22(16(13)17(12)29-4)24(20(23)25,31-11-30-22)19(27)18(21)23/h12-20,26-27H,5-11H2,1-4H3
InChIKeyIVEHCMATGFXDGI-UHFFFAOYSA-N
XLogP1.01
TPSA80.62 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.56
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 14-ethyl-4,19-dimethoxy-16-methyl-9,11-dioxa-14-azaheptacyclo[10.7.2.12,5.01,13.03,8.08,12.016,20]docosane-6,21-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Deltaline
CID 441728
Eldelidine
CID 201788
Delcorine
CID 441724
Belsoline
CID 441727
Delsoline
CID 44655937
20-Ethyl-1,6,16-trimethoxy-4-(methoxymethyl)aconitane-7,8,14-triol
CID 165288
Deltamine 6-acetate
CID 165537
Npc312658
CID 14163819
Aconine
CID 20054813
(1S,4S,5R,6R,8R,9S,10S,13S,16S)-11-ethyl-13-(hydroxymethyl)-4,6,16,18-tetramethoxy-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecane-8,9-diol
CID 23641114
11-Ethyl-13-(hydroxymethyl)-4,6,16,18-tetramethoxy-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecane-8,9-diol
CID 99924
Aconine [M+H]+
CID 417761

Frequently Asked Questions

What is the IUPAC name of 14-ethyl-4,19-dimethoxy-16-methyl-9,11-dioxa-14-azaheptacyclo[10.7.2.12,5.01,13.03,8.08,12.016,20]docosane-6,21-diol?
The IUPAC name of 14-ethyl-4,19-dimethoxy-16-methyl-9,11-dioxa-14-azaheptacyclo[10.7.2.12,5.01,13.03,8.08,12.016,20]docosane-6,21-diol (CID 14264163) is 14-ethyl-4,19-dimethoxy-16-methyl-9,11-dioxa-14-azaheptacyclo[10.7.2.12,5.01,13.03,8.08,12.016,20]docosane-6,21-diol.
What is the SMILES notation for 14-ethyl-4,19-dimethoxy-16-methyl-9,11-dioxa-14-azaheptacyclo[10.7.2.12,5.01,13.03,8.08,12.016,20]docosane-6,21-diol?
The canonical SMILES for 14-ethyl-4,19-dimethoxy-16-methyl-9,11-dioxa-14-azaheptacyclo[10.7.2.12,5.01,13.03,8.08,12.016,20]docosane-6,21-diol is CCN1CC2(C)CCC(OC)C34C5CC6C(O)CC7(OCOC7(C(O)C23)C14)C5C6OC.
What is the InChIKey of 14-ethyl-4,19-dimethoxy-16-methyl-9,11-dioxa-14-azaheptacyclo[10.7.2.12,5.01,13.03,8.08,12.016,20]docosane-6,21-diol?
The InChIKey is IVEHCMATGFXDGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H37NO6/c1-5-25-10-21(2)7-6-15(28-3)23-13-8-12-14(26)9-22(16(13)17(12)29-4)24(20(23)25,31-11-30-22)19(27)18(21)23/h12-20,26-27H,5-11H2,1-4H3.
What are the key properties of 14-ethyl-4,19-dimethoxy-16-methyl-9,11-dioxa-14-azaheptacyclo[10.7.2.12,5.01,13.03,8.08,12.016,20]docosane-6,21-diol?
14-ethyl-4,19-dimethoxy-16-methyl-9,11-dioxa-14-azaheptacyclo[10.7.2.12,5.01,13.03,8.08,12.016,20]docosane-6,21-diol has a molecular weight of 435.56 g/mol, XLogP of 1.01, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 14-ethyl-4,19-dimethoxy-16-methyl-9,11-dioxa-14-azaheptacyclo[10.7.2.12,5.01,13.03,8.08,12.016,20]docosane-6,21-diol is sourced from PubChem (CID 14264163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).