2-[2-[2-[4-(3-hydroxyphenyl)-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl]ethoxy]ethoxy]-N-methylacetamide

C26H29N5O6 — CID 58508284

IUPAC2-[2-[2-[4-(3-hydroxyphenyl)-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl]ethoxy]ethoxy]-N-methylacetamide
SMILESCNC(=O)COCCOCCc1ccc2c(n1)oc1c(N3CCOCC3)nc(-c3cccc(O)c3)nc12
InChIInChI=1S/C26H29N5O6/c1-27-21(33)16-36-14-13-34-10-7-18-5-6-20-22-23(37-26(20)28-18)25(31-8-11-35-12-9-31)30-24(29-22)17-3-2-4-19(32)15-17/h2-6,15,32H,7-14,16H2,1H3,(H,27,33)
InChIKeyNEASJRVCONSKLD-UHFFFAOYSA-N
MW507.55 g/mol
LogP2.30
Rot. Bonds10

About 2-[2-[2-[4-(3-hydroxyphenyl)-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl]ethoxy]ethoxy]-N-methylacetamide

2-[2-[2-[4-(3-hydroxyphenyl)-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl]ethoxy]ethoxy]-N-methylacetamide (PubChem CID 58508284) has the molecular formula C26H29N5O6 and a molecular weight of 507.55 g/mol. Its IUPAC name is 2-[2-[2-[4-(3-hydroxyphenyl)-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl]ethoxy]ethoxy]-N-methylacetamide.

Molecular Properties

Compound Name2-[2-[2-[4-(3-hydroxyphenyl)-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl]ethoxy]ethoxy]-N-methylacetamide
PubChem CID58508284
Molecular FormulaC26H29N5O6
Molecular Weight507.55 g/mol
Exact Mass507.21
IUPAC Name2-[2-[2-[4-(3-hydroxyphenyl)-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl]ethoxy]ethoxy]-N-methylacetamide
SMILESCNC(=O)COCCOCCc1ccc2c(n1)oc1c(N3CCOCC3)nc(-c3cccc(O)c3)nc12
InChIInChI=1S/C26H29N5O6/c1-27-21(33)16-36-14-13-34-10-7-18-5-6-20-22-23(37-26(20)28-18)25(31-8-11-35-12-9-31)30-24(29-22)17-3-2-4-19(32)15-17/h2-6,15,32H,7-14,16H2,1H3,(H,27,33)
InChIKeyNEASJRVCONSKLD-UHFFFAOYSA-N
XLogP2.30
TPSA132.07 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500507.55
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-[2-[2-[4-(3-hydroxyphenyl)-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl]ethoxy]ethoxy]-N-methylacetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[4-(3-hydroxyphenyl)-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl]ethoxy]ethoxy]-N-methylacetamide?
The IUPAC name of 2-[2-[2-[4-(3-hydroxyphenyl)-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl]ethoxy]ethoxy]-N-methylacetamide (CID 58508284) is 2-[2-[2-[4-(3-hydroxyphenyl)-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl]ethoxy]ethoxy]-N-methylacetamide.
What is the SMILES notation for 2-[2-[2-[4-(3-hydroxyphenyl)-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl]ethoxy]ethoxy]-N-methylacetamide?
The canonical SMILES for 2-[2-[2-[4-(3-hydroxyphenyl)-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl]ethoxy]ethoxy]-N-methylacetamide is CNC(=O)COCCOCCc1ccc2c(n1)oc1c(N3CCOCC3)nc(-c3cccc(O)c3)nc12.
What is the InChIKey of 2-[2-[2-[4-(3-hydroxyphenyl)-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl]ethoxy]ethoxy]-N-methylacetamide?
The InChIKey is NEASJRVCONSKLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N5O6/c1-27-21(33)16-36-14-13-34-10-7-18-5-6-20-22-23(37-26(20)28-18)25(31-8-11-35-12-9-31)30-24(29-22)17-3-2-4-19(32)15-17/h2-6,15,32H,7-14,16H2,1H3,(H,27,33).
What are the key properties of 2-[2-[2-[4-(3-hydroxyphenyl)-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl]ethoxy]ethoxy]-N-methylacetamide?
2-[2-[2-[4-(3-hydroxyphenyl)-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl]ethoxy]ethoxy]-N-methylacetamide has a molecular weight of 507.55 g/mol, XLogP of 2.30, 10 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[4-(3-hydroxyphenyl)-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl]ethoxy]ethoxy]-N-methylacetamide is sourced from PubChem (CID 58508284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).