1-(1-phenylpropan-2-yl)-1,3-diazinan-2-one

C13H18N2O — CID 115371151

IUPAC1-(1-phenylpropan-2-yl)-1,3-diazinan-2-one
SMILESCC(Cc1ccccc1)N1CCCNC1=O
InChIInChI=1S/C13H18N2O/c1-11(10-12-6-3-2-4-7-12)15-9-5-8-14-13(15)16/h2-4,6-7,11H,5,8-10H2,1H3,(H,14,16)
InChIKeyRIJXCXHEPIRSRD-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.03
Rot. Bonds3

About 1-(1-phenylpropan-2-yl)-1,3-diazinan-2-one

1-(1-phenylpropan-2-yl)-1,3-diazinan-2-one (PubChem CID 115371151) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 1-(1-phenylpropan-2-yl)-1,3-diazinan-2-one.

Molecular Properties

Compound Name1-(1-phenylpropan-2-yl)-1,3-diazinan-2-one
PubChem CID115371151
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name1-(1-phenylpropan-2-yl)-1,3-diazinan-2-one
SMILESCC(Cc1ccccc1)N1CCCNC1=O
InChIInChI=1S/C13H18N2O/c1-11(10-12-6-3-2-4-7-12)15-9-5-8-14-13(15)16/h2-4,6-7,11H,5,8-10H2,1H3,(H,14,16)
InChIKeyRIJXCXHEPIRSRD-UHFFFAOYSA-N
XLogP2.03
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(1-phenylpropan-2-yl)piperazine-2,5-dione
CID 64955615
1-(5-methylhexan-2-yl)-1,3-diazinan-2-one
CID 115370924
[(2S,3S,5S)-3-hydroxy-5-[[(2S)-3-methyl-2-(2-oxo-1,3-diazinan-1-yl)butanoyl]amino]-1,6-diphenylhexan-2-yl]carbamic acid
CID 67977471
1-(1-phenylpropan-2-yl)-3-propan-2-ylpiperazine-2,5-dione
CID 64970610
3-amino-1-(1-phenylpropan-2-yl)pyrrolidin-2-one
CID 63012641
1-(1-phenylpropan-2-yl)piperidine
CID 11321650
5-methyl-1-(1-phenylpropan-2-yl)-1,3-diazinane-2,4-dione
CID 79777283
4-(1-phenylpropan-2-yl)piperazine-2,6-dione
CID 63788386
N-[5-[diphosphanyl(phosphanyl)amino]-4-hydroxy-1,6-diphenylhexan-2-yl]-2-(2-oxo-1,3-diazinan-1-yl)propanamide;molecular iodine
CID 158810434
4-(3-phenyl-2-sulfanylpropanoyl)-1,4-diazepan-2-one
CID 107031205
1-[1-(3-chlorophenyl)ethyl]-1,3-diazinan-2-one
CID 115371054
2-[(2R)-1-phenylpropan-2-yl]isoindole-1,3-dione
CID 1121128

Frequently Asked Questions

What is the IUPAC name of 1-(1-phenylpropan-2-yl)-1,3-diazinan-2-one?
The IUPAC name of 1-(1-phenylpropan-2-yl)-1,3-diazinan-2-one (CID 115371151) is 1-(1-phenylpropan-2-yl)-1,3-diazinan-2-one.
What is the SMILES notation for 1-(1-phenylpropan-2-yl)-1,3-diazinan-2-one?
The canonical SMILES for 1-(1-phenylpropan-2-yl)-1,3-diazinan-2-one is CC(Cc1ccccc1)N1CCCNC1=O.
What is the InChIKey of 1-(1-phenylpropan-2-yl)-1,3-diazinan-2-one?
The InChIKey is RIJXCXHEPIRSRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-11(10-12-6-3-2-4-7-12)15-9-5-8-14-13(15)16/h2-4,6-7,11H,5,8-10H2,1H3,(H,14,16).
What are the key properties of 1-(1-phenylpropan-2-yl)-1,3-diazinan-2-one?
1-(1-phenylpropan-2-yl)-1,3-diazinan-2-one has a molecular weight of 218.30 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-phenylpropan-2-yl)-1,3-diazinan-2-one is sourced from PubChem (CID 115371151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).