N,N-bis(2-methoxyethyl)-6-methyl-2-oxo-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide

C18H22N4O4 — CID 4523315

IUPACN,N-bis(2-methoxyethyl)-6-methyl-2-oxo-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide
SMILESCOCCN(CCOC)C(=O)c1cc2c(=O)n3ccccc3nc2n1C
InChIInChI=1S/C18H22N4O4/c1-20-14(18(24)21(8-10-25-2)9-11-26-3)12-13-16(20)19-15-6-4-5-7-22(15)17(13)23/h4-7,12H,8-11H2,1-3H3
InChIKeyXWGFXKNBFPJPJK-UHFFFAOYSA-N
MW358.40 g/mol
LogP0.92
Rot. Bonds7

About N,N-bis(2-methoxyethyl)-6-methyl-2-oxo-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide

N,N-bis(2-methoxyethyl)-6-methyl-2-oxo-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide (PubChem CID 4523315) has the molecular formula C18H22N4O4 and a molecular weight of 358.40 g/mol. Its IUPAC name is N,N-bis(2-methoxyethyl)-6-methyl-2-oxo-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide.

Molecular Properties

Compound NameN,N-bis(2-methoxyethyl)-6-methyl-2-oxo-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide
PubChem CID4523315
Molecular FormulaC18H22N4O4
Molecular Weight358.40 g/mol
Exact Mass358.16
IUPAC NameN,N-bis(2-methoxyethyl)-6-methyl-2-oxo-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide
SMILESCOCCN(CCOC)C(=O)c1cc2c(=O)n3ccccc3nc2n1C
InChIInChI=1S/C18H22N4O4/c1-20-14(18(24)21(8-10-25-2)9-11-26-3)12-13-16(20)19-15-6-4-5-7-22(15)17(13)23/h4-7,12H,8-11H2,1-3H3
InChIKeyXWGFXKNBFPJPJK-UHFFFAOYSA-N
XLogP0.92
TPSA78.07 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 50.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N,N-bis(2-methoxyethyl)-6-methyl-2-oxo-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide?
The IUPAC name of N,N-bis(2-methoxyethyl)-6-methyl-2-oxo-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide (CID 4523315) is N,N-bis(2-methoxyethyl)-6-methyl-2-oxo-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide.
What is the SMILES notation for N,N-bis(2-methoxyethyl)-6-methyl-2-oxo-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide?
The canonical SMILES for N,N-bis(2-methoxyethyl)-6-methyl-2-oxo-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide is COCCN(CCOC)C(=O)c1cc2c(=O)n3ccccc3nc2n1C.
What is the InChIKey of N,N-bis(2-methoxyethyl)-6-methyl-2-oxo-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide?
The InChIKey is XWGFXKNBFPJPJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O4/c1-20-14(18(24)21(8-10-25-2)9-11-26-3)12-13-16(20)19-15-6-4-5-7-22(15)17(13)23/h4-7,12H,8-11H2,1-3H3.
What are the key properties of N,N-bis(2-methoxyethyl)-6-methyl-2-oxo-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide?
N,N-bis(2-methoxyethyl)-6-methyl-2-oxo-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide has a molecular weight of 358.40 g/mol, XLogP of 0.92, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(2-methoxyethyl)-6-methyl-2-oxo-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide is sourced from PubChem (CID 4523315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).