1-(3-methyl-4-phenylmethoxyphenyl)-1,3-diazinan-2-one

C18H20N2O2 — CID 68524434

IUPAC1-(3-methyl-4-phenylmethoxyphenyl)-1,3-diazinan-2-one
SMILESCc1cc(N2CCCNC2=O)ccc1OCc1ccccc1
InChIInChI=1S/C18H20N2O2/c1-14-12-16(20-11-5-10-19-18(20)21)8-9-17(14)22-13-15-6-3-2-4-7-15/h2-4,6-9,12H,5,10-11,13H2,1H3,(H,19,21)
InChIKeyJASVSHKNPPLUMA-UHFFFAOYSA-N
MW296.37 g/mol
LogP3.49
Rot. Bonds4

About 1-(3-methyl-4-phenylmethoxyphenyl)-1,3-diazinan-2-one

1-(3-methyl-4-phenylmethoxyphenyl)-1,3-diazinan-2-one (PubChem CID 68524434) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is 1-(3-methyl-4-phenylmethoxyphenyl)-1,3-diazinan-2-one.

Molecular Properties

Compound Name1-(3-methyl-4-phenylmethoxyphenyl)-1,3-diazinan-2-one
PubChem CID68524434
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC Name1-(3-methyl-4-phenylmethoxyphenyl)-1,3-diazinan-2-one
SMILESCc1cc(N2CCCNC2=O)ccc1OCc1ccccc1
InChIInChI=1S/C18H20N2O2/c1-14-12-16(20-11-5-10-19-18(20)21)8-9-17(14)22-13-15-6-3-2-4-7-15/h2-4,6-9,12H,5,10-11,13H2,1H3,(H,19,21)
InChIKeyJASVSHKNPPLUMA-UHFFFAOYSA-N
XLogP3.49
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(phenylmethoxymethyl)phenyl]-1,3-diazinan-2-one
CID 140519579
1-(4-ethoxy-3-fluorophenyl)-1,3-diazinan-2-one
CID 113399851
4-benzyl-1-(3-methyl-4-phenylmethoxyphenyl)piperazine-2,6-dione
CID 54410983
1-(3-methoxy-4-phenylmethoxyphenyl)piperidin-2-one
CID 86198598
1-(4-methoxy-3-phenylmethoxyphenyl)-4-methyl-1,3-diazinan-2-one
CID 155170009
benzyl N-[4-(2-oxo-1,3-diazinan-1-yl)phenyl]carbamate
CID 110666721
1-[3-(3,4-diethoxyphenyl)phenyl]-1,3-diazinan-2-one
CID 154793714
3-methyl-4-phenylmethoxybenzoic acid
CID 53471145
3-methyl-1-(4-phenoxy-3-phenylmethoxyphenyl)-1,3,5-triazinane-2,4-dione
CID 175517725
2-methyl-4-(4-methylphenyl)-1-phenylmethoxybenzene
CID 142190093
ethane;3-(3-fluoro-4-phenylmethoxyphenyl)-1,3-oxazolidin-2-one;methanol
CID 142959688
(3-methyl-4-phenylmethoxyphenyl) acetate
CID 129245175

Frequently Asked Questions

What is the IUPAC name of 1-(3-methyl-4-phenylmethoxyphenyl)-1,3-diazinan-2-one?
The IUPAC name of 1-(3-methyl-4-phenylmethoxyphenyl)-1,3-diazinan-2-one (CID 68524434) is 1-(3-methyl-4-phenylmethoxyphenyl)-1,3-diazinan-2-one.
What is the SMILES notation for 1-(3-methyl-4-phenylmethoxyphenyl)-1,3-diazinan-2-one?
The canonical SMILES for 1-(3-methyl-4-phenylmethoxyphenyl)-1,3-diazinan-2-one is Cc1cc(N2CCCNC2=O)ccc1OCc1ccccc1.
What is the InChIKey of 1-(3-methyl-4-phenylmethoxyphenyl)-1,3-diazinan-2-one?
The InChIKey is JASVSHKNPPLUMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2/c1-14-12-16(20-11-5-10-19-18(20)21)8-9-17(14)22-13-15-6-3-2-4-7-15/h2-4,6-9,12H,5,10-11,13H2,1H3,(H,19,21).
What are the key properties of 1-(3-methyl-4-phenylmethoxyphenyl)-1,3-diazinan-2-one?
1-(3-methyl-4-phenylmethoxyphenyl)-1,3-diazinan-2-one has a molecular weight of 296.37 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methyl-4-phenylmethoxyphenyl)-1,3-diazinan-2-one is sourced from PubChem (CID 68524434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).