5-[[6-[[1,3-bis(methoxymethyl)-2-oxo-1,3-diazinan-5-yl]oxymethyl]naphthalen-2-yl]methoxy]-1,3-bis(methoxymethyl)-1,3-diazinan-2-one

C28H40N4O8 — CID 122419787

IUPAC5-[[6-[[1,3-bis(methoxymethyl)-2-oxo-1,3-diazinan-5-yl]oxymethyl]naphthalen-2-yl]methoxy]-1,3-bis(methoxymethyl)-1,3-diazinan-2-one
SMILESCOCN1CC(OCc2ccc3cc(COC4CN(COC)C(=O)N(COC)C4)ccc3c2)CN(COC)C1=O
InChIInChI=1S/C28H40N4O8/c1-35-17-29-11-25(12-30(18-36-2)27(29)33)39-15-21-5-7-24-10-22(6-8-23(24)9-21)16-40-26-13-31(19-37-3)28(34)32(14-26)20-38-4/h5-10,25-26H,11-20H2,1-4H3
InChIKeyRUODHHQXJBXGMR-UHFFFAOYSA-N
MW560.65 g/mol
LogP2.50
Rot. Bonds14

About 5-[[6-[[1,3-bis(methoxymethyl)-2-oxo-1,3-diazinan-5-yl]oxymethyl]naphthalen-2-yl]methoxy]-1,3-bis(methoxymethyl)-1,3-diazinan-2-one

5-[[6-[[1,3-bis(methoxymethyl)-2-oxo-1,3-diazinan-5-yl]oxymethyl]naphthalen-2-yl]methoxy]-1,3-bis(methoxymethyl)-1,3-diazinan-2-one (PubChem CID 122419787) has the molecular formula C28H40N4O8 and a molecular weight of 560.65 g/mol. Its IUPAC name is 5-[[6-[[1,3-bis(methoxymethyl)-2-oxo-1,3-diazinan-5-yl]oxymethyl]naphthalen-2-yl]methoxy]-1,3-bis(methoxymethyl)-1,3-diazinan-2-one.

Molecular Properties

Compound Name5-[[6-[[1,3-bis(methoxymethyl)-2-oxo-1,3-diazinan-5-yl]oxymethyl]naphthalen-2-yl]methoxy]-1,3-bis(methoxymethyl)-1,3-diazinan-2-one
PubChem CID122419787
Molecular FormulaC28H40N4O8
Molecular Weight560.65 g/mol
Exact Mass560.28
IUPAC Name5-[[6-[[1,3-bis(methoxymethyl)-2-oxo-1,3-diazinan-5-yl]oxymethyl]naphthalen-2-yl]methoxy]-1,3-bis(methoxymethyl)-1,3-diazinan-2-one
SMILESCOCN1CC(OCc2ccc3cc(COC4CN(COC)C(=O)N(COC)C4)ccc3c2)CN(COC)C1=O
InChIInChI=1S/C28H40N4O8/c1-35-17-29-11-25(12-30(18-36-2)27(29)33)39-15-21-5-7-24-10-22(6-8-23(24)9-21)16-40-26-13-31(19-37-3)28(34)32(14-26)20-38-4/h5-10,25-26H,11-20H2,1-4H3
InChIKeyRUODHHQXJBXGMR-UHFFFAOYSA-N
XLogP2.50
TPSA102.48 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds14
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500560.65
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 5-[[6-[[1,3-bis(methoxymethyl)-2-oxo-1,3-diazinan-5-yl]oxymethyl]naphthalen-2-yl]methoxy]-1,3-bis(methoxymethyl)-1,3-diazinan-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[[6-[[1,3-bis(methoxymethyl)-2-oxo-1,3-diazinan-5-yl]oxymethyl]naphthalen-2-yl]methoxy]-1,3-bis(methoxymethyl)-1,3-diazinan-2-one?
The IUPAC name of 5-[[6-[[1,3-bis(methoxymethyl)-2-oxo-1,3-diazinan-5-yl]oxymethyl]naphthalen-2-yl]methoxy]-1,3-bis(methoxymethyl)-1,3-diazinan-2-one (CID 122419787) is 5-[[6-[[1,3-bis(methoxymethyl)-2-oxo-1,3-diazinan-5-yl]oxymethyl]naphthalen-2-yl]methoxy]-1,3-bis(methoxymethyl)-1,3-diazinan-2-one.
What is the SMILES notation for 5-[[6-[[1,3-bis(methoxymethyl)-2-oxo-1,3-diazinan-5-yl]oxymethyl]naphthalen-2-yl]methoxy]-1,3-bis(methoxymethyl)-1,3-diazinan-2-one?
The canonical SMILES for 5-[[6-[[1,3-bis(methoxymethyl)-2-oxo-1,3-diazinan-5-yl]oxymethyl]naphthalen-2-yl]methoxy]-1,3-bis(methoxymethyl)-1,3-diazinan-2-one is COCN1CC(OCc2ccc3cc(COC4CN(COC)C(=O)N(COC)C4)ccc3c2)CN(COC)C1=O.
What is the InChIKey of 5-[[6-[[1,3-bis(methoxymethyl)-2-oxo-1,3-diazinan-5-yl]oxymethyl]naphthalen-2-yl]methoxy]-1,3-bis(methoxymethyl)-1,3-diazinan-2-one?
The InChIKey is RUODHHQXJBXGMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H40N4O8/c1-35-17-29-11-25(12-30(18-36-2)27(29)33)39-15-21-5-7-24-10-22(6-8-23(24)9-21)16-40-26-13-31(19-37-3)28(34)32(14-26)20-38-4/h5-10,25-26H,11-20H2,1-4H3.
What are the key properties of 5-[[6-[[1,3-bis(methoxymethyl)-2-oxo-1,3-diazinan-5-yl]oxymethyl]naphthalen-2-yl]methoxy]-1,3-bis(methoxymethyl)-1,3-diazinan-2-one?
5-[[6-[[1,3-bis(methoxymethyl)-2-oxo-1,3-diazinan-5-yl]oxymethyl]naphthalen-2-yl]methoxy]-1,3-bis(methoxymethyl)-1,3-diazinan-2-one has a molecular weight of 560.65 g/mol, XLogP of 2.50, 14 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[6-[[1,3-bis(methoxymethyl)-2-oxo-1,3-diazinan-5-yl]oxymethyl]naphthalen-2-yl]methoxy]-1,3-bis(methoxymethyl)-1,3-diazinan-2-one is sourced from PubChem (CID 122419787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).