14-ethyl-4,6,19-trimethoxy-9,11-dioxa-14-azaheptacyclo[10.7.2.12,5.01,13.03,8.08,12.016,20]docosane-2,21-diol

C24H37NO7 — CID 73318688

IUPAC14-ethyl-4,6,19-trimethoxy-9,11-dioxa-14-azaheptacyclo[10.7.2.12,5.01,13.03,8.08,12.016,20]docosane-2,21-diol
SMILESCCN1CC2CCC(OC)C34C2C(O)C2(OCOC25CC(OC)C2CC3(O)C5C2OC)C14
InChIInChI=1S/C24H37NO7/c1-5-25-10-12-6-7-15(29-3)23-16(12)19(26)24(20(23)25)22(31-11-32-24)9-14(28-2)13-8-21(23,27)18(22)17(13)30-4/h12-20,26-27H,5-11H2,1-4H3
InChIKeyQAZPSWHJMBKART-UHFFFAOYSA-N
MW451.56 g/mol
LogP0.39
Rot. Bonds4

About 14-ethyl-4,6,19-trimethoxy-9,11-dioxa-14-azaheptacyclo[10.7.2.12,5.01,13.03,8.08,12.016,20]docosane-2,21-diol

14-ethyl-4,6,19-trimethoxy-9,11-dioxa-14-azaheptacyclo[10.7.2.12,5.01,13.03,8.08,12.016,20]docosane-2,21-diol (PubChem CID 73318688) has the molecular formula C24H37NO7 and a molecular weight of 451.56 g/mol. Its IUPAC name is 14-ethyl-4,6,19-trimethoxy-9,11-dioxa-14-azaheptacyclo[10.7.2.12,5.01,13.03,8.08,12.016,20]docosane-2,21-diol.

Molecular Properties

Compound Name14-ethyl-4,6,19-trimethoxy-9,11-dioxa-14-azaheptacyclo[10.7.2.12,5.01,13.03,8.08,12.016,20]docosane-2,21-diol
PubChem CID73318688
Molecular FormulaC24H37NO7
Molecular Weight451.56 g/mol
Exact Mass451.26
IUPAC Name14-ethyl-4,6,19-trimethoxy-9,11-dioxa-14-azaheptacyclo[10.7.2.12,5.01,13.03,8.08,12.016,20]docosane-2,21-diol
SMILESCCN1CC2CCC(OC)C34C2C(O)C2(OCOC25CC(OC)C2CC3(O)C5C2OC)C14
InChIInChI=1S/C24H37NO7/c1-5-25-10-12-6-7-15(29-3)23-16(12)19(26)24(20(23)25)22(31-11-32-24)9-14(28-2)13-8-21(23,27)18(22)17(13)30-4/h12-20,26-27H,5-11H2,1-4H3
InChIKeyQAZPSWHJMBKART-UHFFFAOYSA-N
XLogP0.39
TPSA89.85 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.56
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 14-ethyl-4,6,19-trimethoxy-9,11-dioxa-14-azaheptacyclo[10.7.2.12,5.01,13.03,8.08,12.016,20]docosane-2,21-diol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 14-ethyl-4,6,19-trimethoxy-9,11-dioxa-14-azaheptacyclo[10.7.2.12,5.01,13.03,8.08,12.016,20]docosane-2,21-diol?
The IUPAC name of 14-ethyl-4,6,19-trimethoxy-9,11-dioxa-14-azaheptacyclo[10.7.2.12,5.01,13.03,8.08,12.016,20]docosane-2,21-diol (CID 73318688) is 14-ethyl-4,6,19-trimethoxy-9,11-dioxa-14-azaheptacyclo[10.7.2.12,5.01,13.03,8.08,12.016,20]docosane-2,21-diol.
What is the SMILES notation for 14-ethyl-4,6,19-trimethoxy-9,11-dioxa-14-azaheptacyclo[10.7.2.12,5.01,13.03,8.08,12.016,20]docosane-2,21-diol?
The canonical SMILES for 14-ethyl-4,6,19-trimethoxy-9,11-dioxa-14-azaheptacyclo[10.7.2.12,5.01,13.03,8.08,12.016,20]docosane-2,21-diol is CCN1CC2CCC(OC)C34C2C(O)C2(OCOC25CC(OC)C2CC3(O)C5C2OC)C14.
What is the InChIKey of 14-ethyl-4,6,19-trimethoxy-9,11-dioxa-14-azaheptacyclo[10.7.2.12,5.01,13.03,8.08,12.016,20]docosane-2,21-diol?
The InChIKey is QAZPSWHJMBKART-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H37NO7/c1-5-25-10-12-6-7-15(29-3)23-16(12)19(26)24(20(23)25)22(31-11-32-24)9-14(28-2)13-8-21(23,27)18(22)17(13)30-4/h12-20,26-27H,5-11H2,1-4H3.
What are the key properties of 14-ethyl-4,6,19-trimethoxy-9,11-dioxa-14-azaheptacyclo[10.7.2.12,5.01,13.03,8.08,12.016,20]docosane-2,21-diol?
14-ethyl-4,6,19-trimethoxy-9,11-dioxa-14-azaheptacyclo[10.7.2.12,5.01,13.03,8.08,12.016,20]docosane-2,21-diol has a molecular weight of 451.56 g/mol, XLogP of 0.39, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 14-ethyl-4,6,19-trimethoxy-9,11-dioxa-14-azaheptacyclo[10.7.2.12,5.01,13.03,8.08,12.016,20]docosane-2,21-diol is sourced from PubChem (CID 73318688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).