17,20,23-trimethyl-6-(2-methylpropoxy)-2,10,17,20,23,31-hexazatetracyclo[23.3.1.14,8.111,15]hentriaconta-1(28),4,6,8(31),11,13,15(30),25(29),26-nonaene-3,9-dione

C32H42N6O3 — CID 102346471

IUPAC17,20,23-trimethyl-6-(2-methylpropoxy)-2,10,17,20,23,31-hexazatetracyclo[23.3.1.14,8.111,15]hentriaconta-1(28),4,6,8(31),11,13,15(30),25(29),26-nonaene-3,9-dione
SMILESCC(C)COc1cc2nc(c1)C(=O)Nc1cccc(c1)CN(C)CCN(C)CCN(C)Cc1cccc(c1)NC2=O
InChIInChI=1S/C32H42N6O3/c1-23(2)22-41-28-18-29-31(39)33-26-10-6-8-24(16-26)20-37(4)14-12-36(3)13-15-38(5)21-25-9-7-11-27(17-25)34-32(40)30(19-28)35-29/h6-11,16-19,23H,12-15,20-22H2,1-5H3,(H,33,39)(H,34,40)
InChIKeyHAURLAKYZKBADR-UHFFFAOYSA-N
MW558.73 g/mol
LogP4.43
Rot. Bonds3

About 17,20,23-trimethyl-6-(2-methylpropoxy)-2,10,17,20,23,31-hexazatetracyclo[23.3.1.14,8.111,15]hentriaconta-1(28),4,6,8(31),11,13,15(30),25(29),26-nonaene-3,9-dione

17,20,23-trimethyl-6-(2-methylpropoxy)-2,10,17,20,23,31-hexazatetracyclo[23.3.1.14,8.111,15]hentriaconta-1(28),4,6,8(31),11,13,15(30),25(29),26-nonaene-3,9-dione (PubChem CID 102346471) has the molecular formula C32H42N6O3 and a molecular weight of 558.73 g/mol. Its IUPAC name is 17,20,23-trimethyl-6-(2-methylpropoxy)-2,10,17,20,23,31-hexazatetracyclo[23.3.1.14,8.111,15]hentriaconta-1(28),4,6,8(31),11,13,15(30),25(29),26-nonaene-3,9-dione.

Molecular Properties

Compound Name17,20,23-trimethyl-6-(2-methylpropoxy)-2,10,17,20,23,31-hexazatetracyclo[23.3.1.14,8.111,15]hentriaconta-1(28),4,6,8(31),11,13,15(30),25(29),26-nonaene-3,9-dione
PubChem CID102346471
Molecular FormulaC32H42N6O3
Molecular Weight558.73 g/mol
Exact Mass558.33
IUPAC Name17,20,23-trimethyl-6-(2-methylpropoxy)-2,10,17,20,23,31-hexazatetracyclo[23.3.1.14,8.111,15]hentriaconta-1(28),4,6,8(31),11,13,15(30),25(29),26-nonaene-3,9-dione
SMILESCC(C)COc1cc2nc(c1)C(=O)Nc1cccc(c1)CN(C)CCN(C)CCN(C)Cc1cccc(c1)NC2=O
InChIInChI=1S/C32H42N6O3/c1-23(2)22-41-28-18-29-31(39)33-26-10-6-8-24(16-26)20-37(4)14-12-36(3)13-15-38(5)21-25-9-7-11-27(17-25)34-32(40)30(19-28)35-29/h6-11,16-19,23H,12-15,20-22H2,1-5H3,(H,33,39)(H,34,40)
InChIKeyHAURLAKYZKBADR-UHFFFAOYSA-N
XLogP4.43
TPSA90.04 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500558.73
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 17,20,23-trimethyl-6-(2-methylpropoxy)-2,10,17,20,23,31-hexazatetracyclo[23.3.1.14,8.111,15]hentriaconta-1(28),4,6,8(31),11,13,15(30),25(29),26-nonaene-3,9-dione with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 17,20,23-trimethyl-6-(2-methylpropoxy)-2,10,17,20,23,31-hexazatetracyclo[23.3.1.14,8.111,15]hentriaconta-1(28),4,6,8(31),11,13,15(30),25(29),26-nonaene-3,9-dione?
The IUPAC name of 17,20,23-trimethyl-6-(2-methylpropoxy)-2,10,17,20,23,31-hexazatetracyclo[23.3.1.14,8.111,15]hentriaconta-1(28),4,6,8(31),11,13,15(30),25(29),26-nonaene-3,9-dione (CID 102346471) is 17,20,23-trimethyl-6-(2-methylpropoxy)-2,10,17,20,23,31-hexazatetracyclo[23.3.1.14,8.111,15]hentriaconta-1(28),4,6,8(31),11,13,15(30),25(29),26-nonaene-3,9-dione.
What is the SMILES notation for 17,20,23-trimethyl-6-(2-methylpropoxy)-2,10,17,20,23,31-hexazatetracyclo[23.3.1.14,8.111,15]hentriaconta-1(28),4,6,8(31),11,13,15(30),25(29),26-nonaene-3,9-dione?
The canonical SMILES for 17,20,23-trimethyl-6-(2-methylpropoxy)-2,10,17,20,23,31-hexazatetracyclo[23.3.1.14,8.111,15]hentriaconta-1(28),4,6,8(31),11,13,15(30),25(29),26-nonaene-3,9-dione is CC(C)COc1cc2nc(c1)C(=O)Nc1cccc(c1)CN(C)CCN(C)CCN(C)Cc1cccc(c1)NC2=O.
What is the InChIKey of 17,20,23-trimethyl-6-(2-methylpropoxy)-2,10,17,20,23,31-hexazatetracyclo[23.3.1.14,8.111,15]hentriaconta-1(28),4,6,8(31),11,13,15(30),25(29),26-nonaene-3,9-dione?
The InChIKey is HAURLAKYZKBADR-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H42N6O3/c1-23(2)22-41-28-18-29-31(39)33-26-10-6-8-24(16-26)20-37(4)14-12-36(3)13-15-38(5)21-25-9-7-11-27(17-25)34-32(40)30(19-28)35-29/h6-11,16-19,23H,12-15,20-22H2,1-5H3,(H,33,39)(H,34,40).
What are the key properties of 17,20,23-trimethyl-6-(2-methylpropoxy)-2,10,17,20,23,31-hexazatetracyclo[23.3.1.14,8.111,15]hentriaconta-1(28),4,6,8(31),11,13,15(30),25(29),26-nonaene-3,9-dione?
17,20,23-trimethyl-6-(2-methylpropoxy)-2,10,17,20,23,31-hexazatetracyclo[23.3.1.14,8.111,15]hentriaconta-1(28),4,6,8(31),11,13,15(30),25(29),26-nonaene-3,9-dione has a molecular weight of 558.73 g/mol, XLogP of 4.43, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 17,20,23-trimethyl-6-(2-methylpropoxy)-2,10,17,20,23,31-hexazatetracyclo[23.3.1.14,8.111,15]hentriaconta-1(28),4,6,8(31),11,13,15(30),25(29),26-nonaene-3,9-dione is sourced from PubChem (CID 102346471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).