10,17-bis(dimethylamino)-6,21-dioxa-3,24,30-triazatetracyclo[24.3.1.08,13.014,19]triaconta-1(30),8(13),9,11,14(19),15,17,26,28-nonaene-2,7,20,25-tetrone

C29H31N5O6 — CID 101350875

IUPAC10,17-bis(dimethylamino)-6,21-dioxa-3,24,30-triazatetracyclo[24.3.1.08,13.014,19]triaconta-1(30),8(13),9,11,14(19),15,17,26,28-nonaene-2,7,20,25-tetrone
SMILESCN(C)c1ccc2c(c1)C(=O)OCCNC(=O)c1cccc(n1)C(=O)NCCOC(=O)c1cc(N(C)C)ccc1-2
InChIInChI=1S/C29H31N5O6/c1-33(2)18-8-10-20-21-11-9-19(34(3)4)17-23(21)29(38)40-15-13-31-27(36)25-7-5-6-24(32-25)26(35)30-12-14-39-28(37)22(20)16-18/h5-11,16-17H,12-15H2,1-4H3,(H,30,35)(H,31,36)
InChIKeyWRYDEDJTAUXUFP-UHFFFAOYSA-N
MW545.60 g/mol
LogP2.37
Rot. Bonds2

About 10,17-bis(dimethylamino)-6,21-dioxa-3,24,30-triazatetracyclo[24.3.1.08,13.014,19]triaconta-1(30),8(13),9,11,14(19),15,17,26,28-nonaene-2,7,20,25-tetrone

10,17-bis(dimethylamino)-6,21-dioxa-3,24,30-triazatetracyclo[24.3.1.08,13.014,19]triaconta-1(30),8(13),9,11,14(19),15,17,26,28-nonaene-2,7,20,25-tetrone (PubChem CID 101350875) has the molecular formula C29H31N5O6 and a molecular weight of 545.60 g/mol. Its IUPAC name is 10,17-bis(dimethylamino)-6,21-dioxa-3,24,30-triazatetracyclo[24.3.1.08,13.014,19]triaconta-1(30),8(13),9,11,14(19),15,17,26,28-nonaene-2,7,20,25-tetrone.

Molecular Properties

Compound Name10,17-bis(dimethylamino)-6,21-dioxa-3,24,30-triazatetracyclo[24.3.1.08,13.014,19]triaconta-1(30),8(13),9,11,14(19),15,17,26,28-nonaene-2,7,20,25-tetrone
PubChem CID101350875
Molecular FormulaC29H31N5O6
Molecular Weight545.60 g/mol
Exact Mass545.23
IUPAC Name10,17-bis(dimethylamino)-6,21-dioxa-3,24,30-triazatetracyclo[24.3.1.08,13.014,19]triaconta-1(30),8(13),9,11,14(19),15,17,26,28-nonaene-2,7,20,25-tetrone
SMILESCN(C)c1ccc2c(c1)C(=O)OCCNC(=O)c1cccc(n1)C(=O)NCCOC(=O)c1cc(N(C)C)ccc1-2
InChIInChI=1S/C29H31N5O6/c1-33(2)18-8-10-20-21-11-9-19(34(3)4)17-23(21)29(38)40-15-13-31-27(36)25-7-5-6-24(32-25)26(35)30-12-14-39-28(37)22(20)16-18/h5-11,16-17H,12-15H2,1-4H3,(H,30,35)(H,31,36)
InChIKeyWRYDEDJTAUXUFP-UHFFFAOYSA-N
XLogP2.37
TPSA130.17 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds2
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500545.60
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 10,17-bis(dimethylamino)-6,21-dioxa-3,24,30-triazatetracyclo[24.3.1.08,13.014,19]triaconta-1(30),8(13),9,11,14(19),15,17,26,28-nonaene-2,7,20,25-tetrone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 10,17-bis(dimethylamino)-6,21-dioxa-3,24,30-triazatetracyclo[24.3.1.08,13.014,19]triaconta-1(30),8(13),9,11,14(19),15,17,26,28-nonaene-2,7,20,25-tetrone?
The IUPAC name of 10,17-bis(dimethylamino)-6,21-dioxa-3,24,30-triazatetracyclo[24.3.1.08,13.014,19]triaconta-1(30),8(13),9,11,14(19),15,17,26,28-nonaene-2,7,20,25-tetrone (CID 101350875) is 10,17-bis(dimethylamino)-6,21-dioxa-3,24,30-triazatetracyclo[24.3.1.08,13.014,19]triaconta-1(30),8(13),9,11,14(19),15,17,26,28-nonaene-2,7,20,25-tetrone.
What is the SMILES notation for 10,17-bis(dimethylamino)-6,21-dioxa-3,24,30-triazatetracyclo[24.3.1.08,13.014,19]triaconta-1(30),8(13),9,11,14(19),15,17,26,28-nonaene-2,7,20,25-tetrone?
The canonical SMILES for 10,17-bis(dimethylamino)-6,21-dioxa-3,24,30-triazatetracyclo[24.3.1.08,13.014,19]triaconta-1(30),8(13),9,11,14(19),15,17,26,28-nonaene-2,7,20,25-tetrone is CN(C)c1ccc2c(c1)C(=O)OCCNC(=O)c1cccc(n1)C(=O)NCCOC(=O)c1cc(N(C)C)ccc1-2.
What is the InChIKey of 10,17-bis(dimethylamino)-6,21-dioxa-3,24,30-triazatetracyclo[24.3.1.08,13.014,19]triaconta-1(30),8(13),9,11,14(19),15,17,26,28-nonaene-2,7,20,25-tetrone?
The InChIKey is WRYDEDJTAUXUFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31N5O6/c1-33(2)18-8-10-20-21-11-9-19(34(3)4)17-23(21)29(38)40-15-13-31-27(36)25-7-5-6-24(32-25)26(35)30-12-14-39-28(37)22(20)16-18/h5-11,16-17H,12-15H2,1-4H3,(H,30,35)(H,31,36).
What are the key properties of 10,17-bis(dimethylamino)-6,21-dioxa-3,24,30-triazatetracyclo[24.3.1.08,13.014,19]triaconta-1(30),8(13),9,11,14(19),15,17,26,28-nonaene-2,7,20,25-tetrone?
10,17-bis(dimethylamino)-6,21-dioxa-3,24,30-triazatetracyclo[24.3.1.08,13.014,19]triaconta-1(30),8(13),9,11,14(19),15,17,26,28-nonaene-2,7,20,25-tetrone has a molecular weight of 545.60 g/mol, XLogP of 2.37, 2 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 10,17-bis(dimethylamino)-6,21-dioxa-3,24,30-triazatetracyclo[24.3.1.08,13.014,19]triaconta-1(30),8(13),9,11,14(19),15,17,26,28-nonaene-2,7,20,25-tetrone is sourced from PubChem (CID 101350875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).