14-ethyl-4,6,19,21-tetramethoxy-16-(methoxymethyl)-9,11-dioxa-14-azaheptacyclo[10.7.2.12,5.01,13.03,8.08,12.016,20]docosane

C27H43NO7 — CID 14059164

IUPAC14-ethyl-4,6,19,21-tetramethoxy-16-(methoxymethyl)-9,11-dioxa-14-azaheptacyclo[10.7.2.12,5.01,13.03,8.08,12.016,20]docosane
SMILESCCN1CC2(COC)CCC(OC)C34C5CC6C(OC)CC7(OCOC7(C(OC)C23)C14)C5C6OC
InChIInChI=1S/C27H43NO7/c1-7-28-12-24(13-29-2)9-8-18(31-4)26-16-10-15-17(30-3)11-25(19(16)20(15)32-5)27(23(26)28,35-14-34-25)22(33-6)21(24)26/h15-23H,7-14H2,1-6H3
InChIKeyZXIRRKBJKCADDR-UHFFFAOYSA-N
MW493.64 g/mol
LogP1.94
Rot. Bonds7

About 14-ethyl-4,6,19,21-tetramethoxy-16-(methoxymethyl)-9,11-dioxa-14-azaheptacyclo[10.7.2.12,5.01,13.03,8.08,12.016,20]docosane

14-ethyl-4,6,19,21-tetramethoxy-16-(methoxymethyl)-9,11-dioxa-14-azaheptacyclo[10.7.2.12,5.01,13.03,8.08,12.016,20]docosane (PubChem CID 14059164) has the molecular formula C27H43NO7 and a molecular weight of 493.64 g/mol. Its IUPAC name is 14-ethyl-4,6,19,21-tetramethoxy-16-(methoxymethyl)-9,11-dioxa-14-azaheptacyclo[10.7.2.12,5.01,13.03,8.08,12.016,20]docosane.

Molecular Properties

Compound Name14-ethyl-4,6,19,21-tetramethoxy-16-(methoxymethyl)-9,11-dioxa-14-azaheptacyclo[10.7.2.12,5.01,13.03,8.08,12.016,20]docosane
PubChem CID14059164
Molecular FormulaC27H43NO7
Molecular Weight493.64 g/mol
Exact Mass493.30
IUPAC Name14-ethyl-4,6,19,21-tetramethoxy-16-(methoxymethyl)-9,11-dioxa-14-azaheptacyclo[10.7.2.12,5.01,13.03,8.08,12.016,20]docosane
SMILESCCN1CC2(COC)CCC(OC)C34C5CC6C(OC)CC7(OCOC7(C(OC)C23)C14)C5C6OC
InChIInChI=1S/C27H43NO7/c1-7-28-12-24(13-29-2)9-8-18(31-4)26-16-10-15-17(30-3)11-25(19(16)20(15)32-5)27(23(26)28,35-14-34-25)22(33-6)21(24)26/h15-23H,7-14H2,1-6H3
InChIKeyZXIRRKBJKCADDR-UHFFFAOYSA-N
XLogP1.94
TPSA67.85 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.64
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 14-ethyl-4,6,19,21-tetramethoxy-16-(methoxymethyl)-9,11-dioxa-14-azaheptacyclo[10.7.2.12,5.01,13.03,8.08,12.016,20]docosane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 14-ethyl-4,6,19,21-tetramethoxy-16-(methoxymethyl)-9,11-dioxa-14-azaheptacyclo[10.7.2.12,5.01,13.03,8.08,12.016,20]docosane?
The IUPAC name of 14-ethyl-4,6,19,21-tetramethoxy-16-(methoxymethyl)-9,11-dioxa-14-azaheptacyclo[10.7.2.12,5.01,13.03,8.08,12.016,20]docosane (CID 14059164) is 14-ethyl-4,6,19,21-tetramethoxy-16-(methoxymethyl)-9,11-dioxa-14-azaheptacyclo[10.7.2.12,5.01,13.03,8.08,12.016,20]docosane.
What is the SMILES notation for 14-ethyl-4,6,19,21-tetramethoxy-16-(methoxymethyl)-9,11-dioxa-14-azaheptacyclo[10.7.2.12,5.01,13.03,8.08,12.016,20]docosane?
The canonical SMILES for 14-ethyl-4,6,19,21-tetramethoxy-16-(methoxymethyl)-9,11-dioxa-14-azaheptacyclo[10.7.2.12,5.01,13.03,8.08,12.016,20]docosane is CCN1CC2(COC)CCC(OC)C34C5CC6C(OC)CC7(OCOC7(C(OC)C23)C14)C5C6OC.
What is the InChIKey of 14-ethyl-4,6,19,21-tetramethoxy-16-(methoxymethyl)-9,11-dioxa-14-azaheptacyclo[10.7.2.12,5.01,13.03,8.08,12.016,20]docosane?
The InChIKey is ZXIRRKBJKCADDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H43NO7/c1-7-28-12-24(13-29-2)9-8-18(31-4)26-16-10-15-17(30-3)11-25(19(16)20(15)32-5)27(23(26)28,35-14-34-25)22(33-6)21(24)26/h15-23H,7-14H2,1-6H3.
What are the key properties of 14-ethyl-4,6,19,21-tetramethoxy-16-(methoxymethyl)-9,11-dioxa-14-azaheptacyclo[10.7.2.12,5.01,13.03,8.08,12.016,20]docosane?
14-ethyl-4,6,19,21-tetramethoxy-16-(methoxymethyl)-9,11-dioxa-14-azaheptacyclo[10.7.2.12,5.01,13.03,8.08,12.016,20]docosane has a molecular weight of 493.64 g/mol, XLogP of 1.94, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 14-ethyl-4,6,19,21-tetramethoxy-16-(methoxymethyl)-9,11-dioxa-14-azaheptacyclo[10.7.2.12,5.01,13.03,8.08,12.016,20]docosane is sourced from PubChem (CID 14059164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).