1,3-bis(2-methoxy-5-methylphenyl)-1,3-diazinan-2-one

C20H24N2O3 — CID 680447

IUPAC1,3-bis(2-methoxy-5-methylphenyl)-1,3-diazinan-2-one
SMILESCOc1ccc(C)cc1N1CCCN(c2cc(C)ccc2OC)C1=O
InChIInChI=1S/C20H24N2O3/c1-14-6-8-18(24-3)16(12-14)21-10-5-11-22(20(21)23)17-13-15(2)7-9-19(17)25-4/h6-9,12-13H,5,10-11H2,1-4H3
InChIKeyBHFLLKKPCKQLOU-UHFFFAOYSA-N
MW340.42 g/mol
LogP4.16
Rot. Bonds4

About 1,3-bis(2-methoxy-5-methylphenyl)-1,3-diazinan-2-one

1,3-bis(2-methoxy-5-methylphenyl)-1,3-diazinan-2-one (PubChem CID 680447) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is 1,3-bis(2-methoxy-5-methylphenyl)-1,3-diazinan-2-one.

Molecular Properties

Compound Name1,3-bis(2-methoxy-5-methylphenyl)-1,3-diazinan-2-one
PubChem CID680447
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC Name1,3-bis(2-methoxy-5-methylphenyl)-1,3-diazinan-2-one
SMILESCOc1ccc(C)cc1N1CCCN(c2cc(C)ccc2OC)C1=O
InChIInChI=1S/C20H24N2O3/c1-14-6-8-18(24-3)16(12-14)21-10-5-11-22(20(21)23)17-13-15(2)7-9-19(17)25-4/h6-9,12-13H,5,10-11H2,1-4H3
InChIKeyBHFLLKKPCKQLOU-UHFFFAOYSA-N
XLogP4.16
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,3-bis(2-methoxy-5-methylphenyl)-1,3-diazinan-2-one?
The IUPAC name of 1,3-bis(2-methoxy-5-methylphenyl)-1,3-diazinan-2-one (CID 680447) is 1,3-bis(2-methoxy-5-methylphenyl)-1,3-diazinan-2-one.
What is the SMILES notation for 1,3-bis(2-methoxy-5-methylphenyl)-1,3-diazinan-2-one?
The canonical SMILES for 1,3-bis(2-methoxy-5-methylphenyl)-1,3-diazinan-2-one is COc1ccc(C)cc1N1CCCN(c2cc(C)ccc2OC)C1=O.
What is the InChIKey of 1,3-bis(2-methoxy-5-methylphenyl)-1,3-diazinan-2-one?
The InChIKey is BHFLLKKPCKQLOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-14-6-8-18(24-3)16(12-14)21-10-5-11-22(20(21)23)17-13-15(2)7-9-19(17)25-4/h6-9,12-13H,5,10-11H2,1-4H3.
What are the key properties of 1,3-bis(2-methoxy-5-methylphenyl)-1,3-diazinan-2-one?
1,3-bis(2-methoxy-5-methylphenyl)-1,3-diazinan-2-one has a molecular weight of 340.42 g/mol, XLogP of 4.16, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(2-methoxy-5-methylphenyl)-1,3-diazinan-2-one is sourced from PubChem (CID 680447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).