8-ethyl-13,15,19-trimethoxy-5-oxa-8-azaheptacyclo[8.7.2.114,17.01,9.04,6.06,18.011,16]icosane-2,10,11-triol

C23H35NO7 — CID 14604063

IUPAC8-ethyl-13,15,19-trimethoxy-5-oxa-8-azaheptacyclo[8.7.2.114,17.01,9.04,6.06,18.011,16]icosane-2,10,11-triol
SMILESCCN1CC23OC2CC(O)C24C5CC6C(OC)CC(O)(C5C6OC)C(O)(C(OC)C32)C14
InChIInChI=1S/C23H35NO7/c1-5-24-9-20-14(31-20)7-13(25)22-11-6-10-12(28-2)8-21(26,15(11)16(10)29-3)23(27,19(22)24)18(30-4)17(20)22/h10-19,25-27H,5-9H2,1-4H3
InChIKeyONTOCCOJNQFNKI-UHFFFAOYSA-N
MW437.53 g/mol
LogP-0.61
Rot. Bonds4

About 8-ethyl-13,15,19-trimethoxy-5-oxa-8-azaheptacyclo[8.7.2.114,17.01,9.04,6.06,18.011,16]icosane-2,10,11-triol

8-ethyl-13,15,19-trimethoxy-5-oxa-8-azaheptacyclo[8.7.2.114,17.01,9.04,6.06,18.011,16]icosane-2,10,11-triol (PubChem CID 14604063) has the molecular formula C23H35NO7 and a molecular weight of 437.53 g/mol. Its IUPAC name is 8-ethyl-13,15,19-trimethoxy-5-oxa-8-azaheptacyclo[8.7.2.114,17.01,9.04,6.06,18.011,16]icosane-2,10,11-triol.

Molecular Properties

Compound Name8-ethyl-13,15,19-trimethoxy-5-oxa-8-azaheptacyclo[8.7.2.114,17.01,9.04,6.06,18.011,16]icosane-2,10,11-triol
PubChem CID14604063
Molecular FormulaC23H35NO7
Molecular Weight437.53 g/mol
Exact Mass437.24
IUPAC Name8-ethyl-13,15,19-trimethoxy-5-oxa-8-azaheptacyclo[8.7.2.114,17.01,9.04,6.06,18.011,16]icosane-2,10,11-triol
SMILESCCN1CC23OC2CC(O)C24C5CC6C(OC)CC(O)(C5C6OC)C(O)(C(OC)C32)C14
InChIInChI=1S/C23H35NO7/c1-5-24-9-20-14(31-20)7-13(25)22-11-6-10-12(28-2)8-21(26,15(11)16(10)29-3)23(27,19(22)24)18(30-4)17(20)22/h10-19,25-27H,5-9H2,1-4H3
InChIKeyONTOCCOJNQFNKI-UHFFFAOYSA-N
XLogP-0.61
TPSA104.15 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.53
LogP ≤ 5-0.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze 8-ethyl-13,15,19-trimethoxy-5-oxa-8-azaheptacyclo[8.7.2.114,17.01,9.04,6.06,18.011,16]icosane-2,10,11-triol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8-ethyl-13,15,19-trimethoxy-5-oxa-8-azaheptacyclo[8.7.2.114,17.01,9.04,6.06,18.011,16]icosane-2,10,11-triol?
The IUPAC name of 8-ethyl-13,15,19-trimethoxy-5-oxa-8-azaheptacyclo[8.7.2.114,17.01,9.04,6.06,18.011,16]icosane-2,10,11-triol (CID 14604063) is 8-ethyl-13,15,19-trimethoxy-5-oxa-8-azaheptacyclo[8.7.2.114,17.01,9.04,6.06,18.011,16]icosane-2,10,11-triol.
What is the SMILES notation for 8-ethyl-13,15,19-trimethoxy-5-oxa-8-azaheptacyclo[8.7.2.114,17.01,9.04,6.06,18.011,16]icosane-2,10,11-triol?
The canonical SMILES for 8-ethyl-13,15,19-trimethoxy-5-oxa-8-azaheptacyclo[8.7.2.114,17.01,9.04,6.06,18.011,16]icosane-2,10,11-triol is CCN1CC23OC2CC(O)C24C5CC6C(OC)CC(O)(C5C6OC)C(O)(C(OC)C32)C14.
What is the InChIKey of 8-ethyl-13,15,19-trimethoxy-5-oxa-8-azaheptacyclo[8.7.2.114,17.01,9.04,6.06,18.011,16]icosane-2,10,11-triol?
The InChIKey is ONTOCCOJNQFNKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35NO7/c1-5-24-9-20-14(31-20)7-13(25)22-11-6-10-12(28-2)8-21(26,15(11)16(10)29-3)23(27,19(22)24)18(30-4)17(20)22/h10-19,25-27H,5-9H2,1-4H3.
What are the key properties of 8-ethyl-13,15,19-trimethoxy-5-oxa-8-azaheptacyclo[8.7.2.114,17.01,9.04,6.06,18.011,16]icosane-2,10,11-triol?
8-ethyl-13,15,19-trimethoxy-5-oxa-8-azaheptacyclo[8.7.2.114,17.01,9.04,6.06,18.011,16]icosane-2,10,11-triol has a molecular weight of 437.53 g/mol, XLogP of -0.61, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethyl-13,15,19-trimethoxy-5-oxa-8-azaheptacyclo[8.7.2.114,17.01,9.04,6.06,18.011,16]icosane-2,10,11-triol is sourced from PubChem (CID 14604063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).