5-methyl-1-(1-phenylpropan-2-yl)-1,3-diazinane-2,4-dione

C14H18N2O2 — CID 79777283

IUPAC5-methyl-1-(1-phenylpropan-2-yl)-1,3-diazinane-2,4-dione
SMILESCC1CN(C(C)Cc2ccccc2)C(=O)NC1=O
InChIInChI=1S/C14H18N2O2/c1-10-9-16(14(18)15-13(10)17)11(2)8-12-6-4-3-5-7-12/h3-7,10-11H,8-9H2,1-2H3,(H,15,17,18)
InChIKeyKGHKVZYEIOIMRK-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.81
Rot. Bonds3

About 5-methyl-1-(1-phenylpropan-2-yl)-1,3-diazinane-2,4-dione

5-methyl-1-(1-phenylpropan-2-yl)-1,3-diazinane-2,4-dione (PubChem CID 79777283) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 5-methyl-1-(1-phenylpropan-2-yl)-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name5-methyl-1-(1-phenylpropan-2-yl)-1,3-diazinane-2,4-dione
PubChem CID79777283
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name5-methyl-1-(1-phenylpropan-2-yl)-1,3-diazinane-2,4-dione
SMILESCC1CN(C(C)Cc2ccccc2)C(=O)NC1=O
InChIInChI=1S/C14H18N2O2/c1-10-9-16(14(18)15-13(10)17)11(2)8-12-6-4-3-5-7-12/h3-7,10-11H,8-9H2,1-2H3,(H,15,17,18)
InChIKeyKGHKVZYEIOIMRK-UHFFFAOYSA-N
XLogP1.81
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-methyl-1-pentan-2-yl-1,3-diazinane-2,4-dione
CID 79777247
4-(1-phenylpropan-2-yl)piperazine-2,6-dione
CID 63788386
3-amino-1-(1-phenylpropan-2-yl)pyrrolidin-2-one
CID 63012641
3,7-dimethyl-1-(1-phenylpropan-2-yl)-1,5-diazocane
CID 55151237
5-methyl-1-(2-phenylpropyl)-1,3-diazinane-2,4-dione
CID 113430281
1-(1-phenylpropan-2-yl)-1,3-diazinan-2-one
CID 115371151
1-(1-phenylpropan-2-yl)piperazine-2,5-dione
CID 64955615
1-(1-phenylpropan-2-yl)-3-propan-2-ylpiperazine-2,5-dione
CID 64970610
5-methyl-1-(1-phenylpropan-2-yl)-2-propan-2-ylpiperazine
CID 64938383
6-methyl-1-(1-phenylpropan-2-yl)-3-propan-2-ylpiperazine-2,5-dione
CID 64970537
1-(1-phenylpropan-2-yl)piperidine
CID 11321650
(3R)-1-[(2R)-1-phenylpropan-2-yl]pyrrolidine-3-carboxylic acid
CID 129413681

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-(1-phenylpropan-2-yl)-1,3-diazinane-2,4-dione?
The IUPAC name of 5-methyl-1-(1-phenylpropan-2-yl)-1,3-diazinane-2,4-dione (CID 79777283) is 5-methyl-1-(1-phenylpropan-2-yl)-1,3-diazinane-2,4-dione.
What is the SMILES notation for 5-methyl-1-(1-phenylpropan-2-yl)-1,3-diazinane-2,4-dione?
The canonical SMILES for 5-methyl-1-(1-phenylpropan-2-yl)-1,3-diazinane-2,4-dione is CC1CN(C(C)Cc2ccccc2)C(=O)NC1=O.
What is the InChIKey of 5-methyl-1-(1-phenylpropan-2-yl)-1,3-diazinane-2,4-dione?
The InChIKey is KGHKVZYEIOIMRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-10-9-16(14(18)15-13(10)17)11(2)8-12-6-4-3-5-7-12/h3-7,10-11H,8-9H2,1-2H3,(H,15,17,18).
What are the key properties of 5-methyl-1-(1-phenylpropan-2-yl)-1,3-diazinane-2,4-dione?
5-methyl-1-(1-phenylpropan-2-yl)-1,3-diazinane-2,4-dione has a molecular weight of 246.31 g/mol, XLogP of 1.81, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-(1-phenylpropan-2-yl)-1,3-diazinane-2,4-dione is sourced from PubChem (CID 79777283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).