(17R)-5-(2-methylpropoxy)-2-oxa-9,12,15,19-tetrazatetracyclo[20.3.1.13,7.012,17]heptacosa-1(25),3,5,7(27),22(26),23-hexaene-8,11,18-trione

C26H32N4O5 — CID 131940767

IUPAC(17R)-5-(2-methylpropoxy)-2-oxa-9,12,15,19-tetrazatetracyclo[20.3.1.13,7.012,17]heptacosa-1(25),3,5,7(27),22(26),23-hexaene-8,11,18-trione
SMILESCC(C)COc1cc2cc(c1)C(=O)NCC(=O)N1CCNC[C@@H]1C(=O)NCCc1cccc(c1)O2
InChIInChI=1S/C26H32N4O5/c1-17(2)16-34-21-11-19-12-22(13-21)35-20-5-3-4-18(10-20)6-7-28-26(33)23-14-27-8-9-30(23)24(31)15-29-25(19)32/h3-5,10-13,17,23,27H,6-9,14-16H2,1-2H3,(H,28,33)(H,29,32)/t23-/m1/s1
InChIKeyPCQODYBTAOESDB-HSZRJFAPSA-N
MW480.57 g/mol
LogP1.72
Rot. Bonds3

About (17R)-5-(2-methylpropoxy)-2-oxa-9,12,15,19-tetrazatetracyclo[20.3.1.13,7.012,17]heptacosa-1(25),3,5,7(27),22(26),23-hexaene-8,11,18-trione

(17R)-5-(2-methylpropoxy)-2-oxa-9,12,15,19-tetrazatetracyclo[20.3.1.13,7.012,17]heptacosa-1(25),3,5,7(27),22(26),23-hexaene-8,11,18-trione (PubChem CID 131940767) has the molecular formula C26H32N4O5 and a molecular weight of 480.57 g/mol. Its IUPAC name is (17R)-5-(2-methylpropoxy)-2-oxa-9,12,15,19-tetrazatetracyclo[20.3.1.13,7.012,17]heptacosa-1(25),3,5,7(27),22(26),23-hexaene-8,11,18-trione.

Molecular Properties

Compound Name(17R)-5-(2-methylpropoxy)-2-oxa-9,12,15,19-tetrazatetracyclo[20.3.1.13,7.012,17]heptacosa-1(25),3,5,7(27),22(26),23-hexaene-8,11,18-trione
PubChem CID131940767
Molecular FormulaC26H32N4O5
Molecular Weight480.57 g/mol
Exact Mass480.24
IUPAC Name(17R)-5-(2-methylpropoxy)-2-oxa-9,12,15,19-tetrazatetracyclo[20.3.1.13,7.012,17]heptacosa-1(25),3,5,7(27),22(26),23-hexaene-8,11,18-trione
SMILESCC(C)COc1cc2cc(c1)C(=O)NCC(=O)N1CCNC[C@@H]1C(=O)NCCc1cccc(c1)O2
InChIInChI=1S/C26H32N4O5/c1-17(2)16-34-21-11-19-12-22(13-21)35-20-5-3-4-18(10-20)6-7-28-26(33)23-14-27-8-9-30(23)24(31)15-29-25(19)32/h3-5,10-13,17,23,27H,6-9,14-16H2,1-2H3,(H,28,33)(H,29,32)/t23-/m1/s1
InChIKeyPCQODYBTAOESDB-HSZRJFAPSA-N
XLogP1.72
TPSA109.00 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.57
LogP ≤ 51.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze (17R)-5-(2-methylpropoxy)-2-oxa-9,12,15,19-tetrazatetracyclo[20.3.1.13,7.012,17]heptacosa-1(25),3,5,7(27),22(26),23-hexaene-8,11,18-trione with MolForge

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Frequently Asked Questions

What is the IUPAC name of (17R)-5-(2-methylpropoxy)-2-oxa-9,12,15,19-tetrazatetracyclo[20.3.1.13,7.012,17]heptacosa-1(25),3,5,7(27),22(26),23-hexaene-8,11,18-trione?
The IUPAC name of (17R)-5-(2-methylpropoxy)-2-oxa-9,12,15,19-tetrazatetracyclo[20.3.1.13,7.012,17]heptacosa-1(25),3,5,7(27),22(26),23-hexaene-8,11,18-trione (CID 131940767) is (17R)-5-(2-methylpropoxy)-2-oxa-9,12,15,19-tetrazatetracyclo[20.3.1.13,7.012,17]heptacosa-1(25),3,5,7(27),22(26),23-hexaene-8,11,18-trione.
What is the SMILES notation for (17R)-5-(2-methylpropoxy)-2-oxa-9,12,15,19-tetrazatetracyclo[20.3.1.13,7.012,17]heptacosa-1(25),3,5,7(27),22(26),23-hexaene-8,11,18-trione?
The canonical SMILES for (17R)-5-(2-methylpropoxy)-2-oxa-9,12,15,19-tetrazatetracyclo[20.3.1.13,7.012,17]heptacosa-1(25),3,5,7(27),22(26),23-hexaene-8,11,18-trione is CC(C)COc1cc2cc(c1)C(=O)NCC(=O)N1CCNC[C@@H]1C(=O)NCCc1cccc(c1)O2.
What is the InChIKey of (17R)-5-(2-methylpropoxy)-2-oxa-9,12,15,19-tetrazatetracyclo[20.3.1.13,7.012,17]heptacosa-1(25),3,5,7(27),22(26),23-hexaene-8,11,18-trione?
The InChIKey is PCQODYBTAOESDB-HSZRJFAPSA-N. The full InChI is InChI=1S/C26H32N4O5/c1-17(2)16-34-21-11-19-12-22(13-21)35-20-5-3-4-18(10-20)6-7-28-26(33)23-14-27-8-9-30(23)24(31)15-29-25(19)32/h3-5,10-13,17,23,27H,6-9,14-16H2,1-2H3,(H,28,33)(H,29,32)/t23-/m1/s1.
What are the key properties of (17R)-5-(2-methylpropoxy)-2-oxa-9,12,15,19-tetrazatetracyclo[20.3.1.13,7.012,17]heptacosa-1(25),3,5,7(27),22(26),23-hexaene-8,11,18-trione?
(17R)-5-(2-methylpropoxy)-2-oxa-9,12,15,19-tetrazatetracyclo[20.3.1.13,7.012,17]heptacosa-1(25),3,5,7(27),22(26),23-hexaene-8,11,18-trione has a molecular weight of 480.57 g/mol, XLogP of 1.72, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (17R)-5-(2-methylpropoxy)-2-oxa-9,12,15,19-tetrazatetracyclo[20.3.1.13,7.012,17]heptacosa-1(25),3,5,7(27),22(26),23-hexaene-8,11,18-trione is sourced from PubChem (CID 131940767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).