4,9,14,19-tetramethyl-1,3,6,8,11,13,16,18-octazacycloicosane-2,7,12,17-tetrone

C16H32N8O4 — CID 10294424

IUPAC4,9,14,19-tetramethyl-1,3,6,8,11,13,16,18-octazacycloicosane-2,7,12,17-tetrone
SMILESCC1CNC(=O)NC(C)CNC(=O)NC(C)CNC(=O)NC(C)CNC(=O)N1
InChIInChI=1S/C16H32N8O4/c1-9-5-17-14(26)22-11(3)7-19-16(28)24-12(4)8-20-15(27)23-10(2)6-18-13(25)21-9/h9-12H,5-8H2,1-4H3,(H2,18,21,25)(H2,17,22,26)(H2,20,23,27)(H2,19,24,28)
InChIKeyMWYOPFXMANHXPZ-UHFFFAOYSA-N
MW400.48 g/mol
LogP-1.25
Rot. Bonds

About 4,9,14,19-tetramethyl-1,3,6,8,11,13,16,18-octazacycloicosane-2,7,12,17-tetrone

4,9,14,19-tetramethyl-1,3,6,8,11,13,16,18-octazacycloicosane-2,7,12,17-tetrone (PubChem CID 10294424) has the molecular formula C16H32N8O4 and a molecular weight of 400.48 g/mol. Its IUPAC name is 4,9,14,19-tetramethyl-1,3,6,8,11,13,16,18-octazacycloicosane-2,7,12,17-tetrone.

Molecular Properties

Compound Name4,9,14,19-tetramethyl-1,3,6,8,11,13,16,18-octazacycloicosane-2,7,12,17-tetrone
PubChem CID10294424
Molecular FormulaC16H32N8O4
Molecular Weight400.48 g/mol
Exact Mass400.25
IUPAC Name4,9,14,19-tetramethyl-1,3,6,8,11,13,16,18-octazacycloicosane-2,7,12,17-tetrone
SMILESCC1CNC(=O)NC(C)CNC(=O)NC(C)CNC(=O)NC(C)CNC(=O)N1
InChIInChI=1S/C16H32N8O4/c1-9-5-17-14(26)22-11(3)7-19-16(28)24-12(4)8-20-15(27)23-10(2)6-18-13(25)21-9/h9-12H,5-8H2,1-4H3,(H2,18,21,25)(H2,17,22,26)(H2,20,23,27)(H2,19,24,28)
InChIKeyMWYOPFXMANHXPZ-UHFFFAOYSA-N
XLogP-1.25
TPSA164.52 Ų
H-Bond Donors8
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.48
LogP ≤ 5-1.25
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,9,14,19-tetramethyl-1,3,6,8,11,13,16,18-octazacycloicosane-2,7,12,17-tetrone?
The IUPAC name of 4,9,14,19-tetramethyl-1,3,6,8,11,13,16,18-octazacycloicosane-2,7,12,17-tetrone (CID 10294424) is 4,9,14,19-tetramethyl-1,3,6,8,11,13,16,18-octazacycloicosane-2,7,12,17-tetrone.
What is the SMILES notation for 4,9,14,19-tetramethyl-1,3,6,8,11,13,16,18-octazacycloicosane-2,7,12,17-tetrone?
The canonical SMILES for 4,9,14,19-tetramethyl-1,3,6,8,11,13,16,18-octazacycloicosane-2,7,12,17-tetrone is CC1CNC(=O)NC(C)CNC(=O)NC(C)CNC(=O)NC(C)CNC(=O)N1.
What is the InChIKey of 4,9,14,19-tetramethyl-1,3,6,8,11,13,16,18-octazacycloicosane-2,7,12,17-tetrone?
The InChIKey is MWYOPFXMANHXPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N8O4/c1-9-5-17-14(26)22-11(3)7-19-16(28)24-12(4)8-20-15(27)23-10(2)6-18-13(25)21-9/h9-12H,5-8H2,1-4H3,(H2,18,21,25)(H2,17,22,26)(H2,20,23,27)(H2,19,24,28).
What are the key properties of 4,9,14,19-tetramethyl-1,3,6,8,11,13,16,18-octazacycloicosane-2,7,12,17-tetrone?
4,9,14,19-tetramethyl-1,3,6,8,11,13,16,18-octazacycloicosane-2,7,12,17-tetrone has a molecular weight of 400.48 g/mol, XLogP of -1.25, 0 rotatable bonds, 8 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,9,14,19-tetramethyl-1,3,6,8,11,13,16,18-octazacycloicosane-2,7,12,17-tetrone is sourced from PubChem (CID 10294424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).