1-(3,4,5-trimethoxyphenyl)-1,3-diazinan-2-one

C13H18N2O4 — CID 115370857

IUPAC1-(3,4,5-trimethoxyphenyl)-1,3-diazinan-2-one
SMILESCOc1cc(N2CCCNC2=O)cc(OC)c1OC
InChIInChI=1S/C13H18N2O4/c1-17-10-7-9(8-11(18-2)12(10)19-3)15-6-4-5-14-13(15)16/h7-8H,4-6H2,1-3H3,(H,14,16)
InChIKeyJCNHFPVXBMOXGU-UHFFFAOYSA-N
MW266.30 g/mol
LogP1.63
Rot. Bonds4

About 1-(3,4,5-trimethoxyphenyl)-1,3-diazinan-2-one

1-(3,4,5-trimethoxyphenyl)-1,3-diazinan-2-one (PubChem CID 115370857) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is 1-(3,4,5-trimethoxyphenyl)-1,3-diazinan-2-one.

Molecular Properties

Compound Name1-(3,4,5-trimethoxyphenyl)-1,3-diazinan-2-one
PubChem CID115370857
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC Name1-(3,4,5-trimethoxyphenyl)-1,3-diazinan-2-one
SMILESCOc1cc(N2CCCNC2=O)cc(OC)c1OC
InChIInChI=1S/C13H18N2O4/c1-17-10-7-9(8-11(18-2)12(10)19-3)15-6-4-5-14-13(15)16/h7-8H,4-6H2,1-3H3,(H,14,16)
InChIKeyJCNHFPVXBMOXGU-UHFFFAOYSA-N
XLogP1.63
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-chloro-3-methoxyphenyl)-1,3-diazinan-2-one
CID 107623725
1-[4-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]imidazolidin-2-one
CID 91755025
1-(4-methoxy-3-pentoxyphenyl)-1,3-diazinan-2-one
CID 155170069
1-(4-chloro-2,5-dimethoxyphenyl)-1,3-diazinan-2-one
CID 113296301
4-(3,4,5-trimethoxyphenyl)morpholin-3-one
CID 165481703
1-(3,4,5-trimethoxyphenyl)piperazine;hydrobromide
CID 12899422
1-(4-ethoxy-3-fluorophenyl)-1,3-diazinan-2-one
CID 113399851
1-(3,4-dimethoxyphenyl)-1,4-diazepan-2-one
CID 82297454
1-(4-aminophenyl)-1,3-diazinan-2-one;hydrochloride
CID 69400856
1-(3,4-difluorophenyl)-1,3-diazinan-2-one
CID 115370833
2-(2-methoxyphenyl)-N-[4-(2-oxo-1,3-diazinan-1-yl)phenyl]acetamide
CID 110666745
1,2-dimethoxybenzene;3-methylidene-1-(3,4,5-trimethoxyphenyl)azetidin-2-one
CID 145375238

Frequently Asked Questions

What is the IUPAC name of 1-(3,4,5-trimethoxyphenyl)-1,3-diazinan-2-one?
The IUPAC name of 1-(3,4,5-trimethoxyphenyl)-1,3-diazinan-2-one (CID 115370857) is 1-(3,4,5-trimethoxyphenyl)-1,3-diazinan-2-one.
What is the SMILES notation for 1-(3,4,5-trimethoxyphenyl)-1,3-diazinan-2-one?
The canonical SMILES for 1-(3,4,5-trimethoxyphenyl)-1,3-diazinan-2-one is COc1cc(N2CCCNC2=O)cc(OC)c1OC.
What is the InChIKey of 1-(3,4,5-trimethoxyphenyl)-1,3-diazinan-2-one?
The InChIKey is JCNHFPVXBMOXGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4/c1-17-10-7-9(8-11(18-2)12(10)19-3)15-6-4-5-14-13(15)16/h7-8H,4-6H2,1-3H3,(H,14,16).
What are the key properties of 1-(3,4,5-trimethoxyphenyl)-1,3-diazinan-2-one?
1-(3,4,5-trimethoxyphenyl)-1,3-diazinan-2-one has a molecular weight of 266.30 g/mol, XLogP of 1.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4,5-trimethoxyphenyl)-1,3-diazinan-2-one is sourced from PubChem (CID 115370857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).