6,7,20,21-tetramethoxy-4,13,13,18-tetramethyl-15-(2-methylpropyl)-12,26-dioxa-4,18-diazahexacyclo[12.12.0.02,11.05,10.016,25.019,24]hexacosa-2(11),5(10),6,8,16(25),19(24),20,22-octaene-3,17-dione

C34H40N2O8 — CID 163001755

IUPAC6,7,20,21-tetramethoxy-4,13,13,18-tetramethyl-15-(2-methylpropyl)-12,26-dioxa-4,18-diazahexacyclo[12.12.0.02,11.05,10.016,25.019,24]hexacosa-2(11),5(10),6,8,16(25),19(24),20,22-octaene-3,17-dione
SMILESCOc1ccc2c3c(c(=O)n(C)c2c1OC)C(CC(C)C)C1C(O3)c2c(c3ccc(OC)c(OC)c3n(C)c2=O)OC1(C)C
InChIInChI=1S/C34H40N2O8/c1-16(2)15-19-22-27(17-11-13-20(39-7)29(41-9)25(17)35(5)32(22)37)43-31-23-28(44-34(3,4)24(19)31)18-12-14-21(40-8)30(42-10)26(18)36(6)33(23)38/h11-14,16,19,24,31H,15H2,1-10H3
InChIKeyVXAXBHSOLPQWCO-UHFFFAOYSA-N
MW604.70 g/mol
LogP5.48
Rot. Bonds6

About 6,7,20,21-tetramethoxy-4,13,13,18-tetramethyl-15-(2-methylpropyl)-12,26-dioxa-4,18-diazahexacyclo[12.12.0.02,11.05,10.016,25.019,24]hexacosa-2(11),5(10),6,8,16(25),19(24),20,22-octaene-3,17-dione

6,7,20,21-tetramethoxy-4,13,13,18-tetramethyl-15-(2-methylpropyl)-12,26-dioxa-4,18-diazahexacyclo[12.12.0.02,11.05,10.016,25.019,24]hexacosa-2(11),5(10),6,8,16(25),19(24),20,22-octaene-3,17-dione (PubChem CID 163001755) has the molecular formula C34H40N2O8 and a molecular weight of 604.70 g/mol. Its IUPAC name is 6,7,20,21-tetramethoxy-4,13,13,18-tetramethyl-15-(2-methylpropyl)-12,26-dioxa-4,18-diazahexacyclo[12.12.0.02,11.05,10.016,25.019,24]hexacosa-2(11),5(10),6,8,16(25),19(24),20,22-octaene-3,17-dione.

Molecular Properties

Compound Name6,7,20,21-tetramethoxy-4,13,13,18-tetramethyl-15-(2-methylpropyl)-12,26-dioxa-4,18-diazahexacyclo[12.12.0.02,11.05,10.016,25.019,24]hexacosa-2(11),5(10),6,8,16(25),19(24),20,22-octaene-3,17-dione
PubChem CID163001755
Molecular FormulaC34H40N2O8
Molecular Weight604.70 g/mol
Exact Mass604.28
IUPAC Name6,7,20,21-tetramethoxy-4,13,13,18-tetramethyl-15-(2-methylpropyl)-12,26-dioxa-4,18-diazahexacyclo[12.12.0.02,11.05,10.016,25.019,24]hexacosa-2(11),5(10),6,8,16(25),19(24),20,22-octaene-3,17-dione
SMILESCOc1ccc2c3c(c(=O)n(C)c2c1OC)C(CC(C)C)C1C(O3)c2c(c3ccc(OC)c(OC)c3n(C)c2=O)OC1(C)C
InChIInChI=1S/C34H40N2O8/c1-16(2)15-19-22-27(17-11-13-20(39-7)29(41-9)25(17)35(5)32(22)37)43-31-23-28(44-34(3,4)24(19)31)18-12-14-21(40-8)30(42-10)26(18)36(6)33(23)38/h11-14,16,19,24,31H,15H2,1-10H3
InChIKeyVXAXBHSOLPQWCO-UHFFFAOYSA-N
XLogP5.48
TPSA99.38 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500604.70
LogP ≤ 55.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 6,7,20,21-tetramethoxy-4,13,13,18-tetramethyl-15-(2-methylpropyl)-12,26-dioxa-4,18-diazahexacyclo[12.12.0.02,11.05,10.016,25.019,24]hexacosa-2(11),5(10),6,8,16(25),19(24),20,22-octaene-3,17-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6,7,20,21-tetramethoxy-4,13,13,18-tetramethyl-15-(2-methylpropyl)-12,26-dioxa-4,18-diazahexacyclo[12.12.0.02,11.05,10.016,25.019,24]hexacosa-2(11),5(10),6,8,16(25),19(24),20,22-octaene-3,17-dione?
The IUPAC name of 6,7,20,21-tetramethoxy-4,13,13,18-tetramethyl-15-(2-methylpropyl)-12,26-dioxa-4,18-diazahexacyclo[12.12.0.02,11.05,10.016,25.019,24]hexacosa-2(11),5(10),6,8,16(25),19(24),20,22-octaene-3,17-dione (CID 163001755) is 6,7,20,21-tetramethoxy-4,13,13,18-tetramethyl-15-(2-methylpropyl)-12,26-dioxa-4,18-diazahexacyclo[12.12.0.02,11.05,10.016,25.019,24]hexacosa-2(11),5(10),6,8,16(25),19(24),20,22-octaene-3,17-dione.
What is the SMILES notation for 6,7,20,21-tetramethoxy-4,13,13,18-tetramethyl-15-(2-methylpropyl)-12,26-dioxa-4,18-diazahexacyclo[12.12.0.02,11.05,10.016,25.019,24]hexacosa-2(11),5(10),6,8,16(25),19(24),20,22-octaene-3,17-dione?
The canonical SMILES for 6,7,20,21-tetramethoxy-4,13,13,18-tetramethyl-15-(2-methylpropyl)-12,26-dioxa-4,18-diazahexacyclo[12.12.0.02,11.05,10.016,25.019,24]hexacosa-2(11),5(10),6,8,16(25),19(24),20,22-octaene-3,17-dione is COc1ccc2c3c(c(=O)n(C)c2c1OC)C(CC(C)C)C1C(O3)c2c(c3ccc(OC)c(OC)c3n(C)c2=O)OC1(C)C.
What is the InChIKey of 6,7,20,21-tetramethoxy-4,13,13,18-tetramethyl-15-(2-methylpropyl)-12,26-dioxa-4,18-diazahexacyclo[12.12.0.02,11.05,10.016,25.019,24]hexacosa-2(11),5(10),6,8,16(25),19(24),20,22-octaene-3,17-dione?
The InChIKey is VXAXBHSOLPQWCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H40N2O8/c1-16(2)15-19-22-27(17-11-13-20(39-7)29(41-9)25(17)35(5)32(22)37)43-31-23-28(44-34(3,4)24(19)31)18-12-14-21(40-8)30(42-10)26(18)36(6)33(23)38/h11-14,16,19,24,31H,15H2,1-10H3.
What are the key properties of 6,7,20,21-tetramethoxy-4,13,13,18-tetramethyl-15-(2-methylpropyl)-12,26-dioxa-4,18-diazahexacyclo[12.12.0.02,11.05,10.016,25.019,24]hexacosa-2(11),5(10),6,8,16(25),19(24),20,22-octaene-3,17-dione?
6,7,20,21-tetramethoxy-4,13,13,18-tetramethyl-15-(2-methylpropyl)-12,26-dioxa-4,18-diazahexacyclo[12.12.0.02,11.05,10.016,25.019,24]hexacosa-2(11),5(10),6,8,16(25),19(24),20,22-octaene-3,17-dione has a molecular weight of 604.70 g/mol, XLogP of 5.48, 6 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7,20,21-tetramethoxy-4,13,13,18-tetramethyl-15-(2-methylpropyl)-12,26-dioxa-4,18-diazahexacyclo[12.12.0.02,11.05,10.016,25.019,24]hexacosa-2(11),5(10),6,8,16(25),19(24),20,22-octaene-3,17-dione is sourced from PubChem (CID 163001755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).