10-(2-morpholin-4-ylethoxy)-14,19-dioxa-5,7,27-triazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(24),2(27),3,5,8,10,12(26),16,21(25),22-decaene

C28H32N4O4 — CID 73351349

IUPAC10-(2-morpholin-4-ylethoxy)-14,19-dioxa-5,7,27-triazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(24),2(27),3,5,8,10,12(26),16,21(25),22-decaene
SMILESC1=CCOCc2cccc(c2)-c2ccnc(n2)Nc2cc(cc(OCCN3CCOCC3)c2)COC1
InChIInChI=1S/C28H32N4O4/c1-2-12-35-21-23-17-25(19-26(18-23)36-15-10-32-8-13-33-14-9-32)30-28-29-7-6-27(31-28)24-5-3-4-22(16-24)20-34-11-1/h1-7,16-19H,8-15,20-21H2,(H,29,30,31)
InChIKeyYXYRNIOFBYFCTC-UHFFFAOYSA-N
MW488.59 g/mol
LogP4.20
Rot. Bonds4

About 10-(2-morpholin-4-ylethoxy)-14,19-dioxa-5,7,27-triazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(24),2(27),3,5,8,10,12(26),16,21(25),22-decaene

10-(2-morpholin-4-ylethoxy)-14,19-dioxa-5,7,27-triazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(24),2(27),3,5,8,10,12(26),16,21(25),22-decaene (PubChem CID 73351349) has the molecular formula C28H32N4O4 and a molecular weight of 488.59 g/mol. Its IUPAC name is 10-(2-morpholin-4-ylethoxy)-14,19-dioxa-5,7,27-triazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(24),2(27),3,5,8,10,12(26),16,21(25),22-decaene.

Molecular Properties

Compound Name10-(2-morpholin-4-ylethoxy)-14,19-dioxa-5,7,27-triazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(24),2(27),3,5,8,10,12(26),16,21(25),22-decaene
PubChem CID73351349
Molecular FormulaC28H32N4O4
Molecular Weight488.59 g/mol
Exact Mass488.24
IUPAC Name10-(2-morpholin-4-ylethoxy)-14,19-dioxa-5,7,27-triazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(24),2(27),3,5,8,10,12(26),16,21(25),22-decaene
SMILESC1=CCOCc2cccc(c2)-c2ccnc(n2)Nc2cc(cc(OCCN3CCOCC3)c2)COC1
InChIInChI=1S/C28H32N4O4/c1-2-12-35-21-23-17-25(19-26(18-23)36-15-10-32-8-13-33-14-9-32)30-28-29-7-6-27(31-28)24-5-3-4-22(16-24)20-34-11-1/h1-7,16-19H,8-15,20-21H2,(H,29,30,31)
InChIKeyYXYRNIOFBYFCTC-UHFFFAOYSA-N
XLogP4.20
TPSA77.97 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.59
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 10-(2-morpholin-4-ylethoxy)-14,19-dioxa-5,7,27-triazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(24),2(27),3,5,8,10,12(26),16,21(25),22-decaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 10-(2-morpholin-4-ylethoxy)-14,19-dioxa-5,7,27-triazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(24),2(27),3,5,8,10,12(26),16,21(25),22-decaene?
The IUPAC name of 10-(2-morpholin-4-ylethoxy)-14,19-dioxa-5,7,27-triazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(24),2(27),3,5,8,10,12(26),16,21(25),22-decaene (CID 73351349) is 10-(2-morpholin-4-ylethoxy)-14,19-dioxa-5,7,27-triazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(24),2(27),3,5,8,10,12(26),16,21(25),22-decaene.
What is the SMILES notation for 10-(2-morpholin-4-ylethoxy)-14,19-dioxa-5,7,27-triazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(24),2(27),3,5,8,10,12(26),16,21(25),22-decaene?
The canonical SMILES for 10-(2-morpholin-4-ylethoxy)-14,19-dioxa-5,7,27-triazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(24),2(27),3,5,8,10,12(26),16,21(25),22-decaene is C1=CCOCc2cccc(c2)-c2ccnc(n2)Nc2cc(cc(OCCN3CCOCC3)c2)COC1.
What is the InChIKey of 10-(2-morpholin-4-ylethoxy)-14,19-dioxa-5,7,27-triazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(24),2(27),3,5,8,10,12(26),16,21(25),22-decaene?
The InChIKey is YXYRNIOFBYFCTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N4O4/c1-2-12-35-21-23-17-25(19-26(18-23)36-15-10-32-8-13-33-14-9-32)30-28-29-7-6-27(31-28)24-5-3-4-22(16-24)20-34-11-1/h1-7,16-19H,8-15,20-21H2,(H,29,30,31).
What are the key properties of 10-(2-morpholin-4-ylethoxy)-14,19-dioxa-5,7,27-triazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(24),2(27),3,5,8,10,12(26),16,21(25),22-decaene?
10-(2-morpholin-4-ylethoxy)-14,19-dioxa-5,7,27-triazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(24),2(27),3,5,8,10,12(26),16,21(25),22-decaene has a molecular weight of 488.59 g/mol, XLogP of 4.20, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(2-morpholin-4-ylethoxy)-14,19-dioxa-5,7,27-triazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(24),2(27),3,5,8,10,12(26),16,21(25),22-decaene is sourced from PubChem (CID 73351349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).