3-[(4-methylphenyl)methyl]-1-(2-methylpropanoyl)-1,3-diazinane-2,4-dione

C16H20N2O3 — CID 102471859

IUPAC3-[(4-methylphenyl)methyl]-1-(2-methylpropanoyl)-1,3-diazinane-2,4-dione
SMILESCc1ccc(CN2C(=O)CCN(C(=O)C(C)C)C2=O)cc1
InChIInChI=1S/C16H20N2O3/c1-11(2)15(20)17-9-8-14(19)18(16(17)21)10-13-6-4-12(3)5-7-13/h4-7,11H,8-10H2,1-3H3
InChIKeyJZJVPMSSRUWBDR-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.33
Rot. Bonds3

About 3-[(4-methylphenyl)methyl]-1-(2-methylpropanoyl)-1,3-diazinane-2,4-dione

3-[(4-methylphenyl)methyl]-1-(2-methylpropanoyl)-1,3-diazinane-2,4-dione (PubChem CID 102471859) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is 3-[(4-methylphenyl)methyl]-1-(2-methylpropanoyl)-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name3-[(4-methylphenyl)methyl]-1-(2-methylpropanoyl)-1,3-diazinane-2,4-dione
PubChem CID102471859
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name3-[(4-methylphenyl)methyl]-1-(2-methylpropanoyl)-1,3-diazinane-2,4-dione
SMILESCc1ccc(CN2C(=O)CCN(C(=O)C(C)C)C2=O)cc1
InChIInChI=1S/C16H20N2O3/c1-11(2)15(20)17-9-8-14(19)18(16(17)21)10-13-6-4-12(3)5-7-13/h4-7,11H,8-10H2,1-3H3
InChIKeyJZJVPMSSRUWBDR-UHFFFAOYSA-N
XLogP2.33
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromo-2-methylphenyl)-3-[(4-methylphenyl)methyl]-1,3-diazinane-2,4-dione
CID 177364678
N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]-2-methylpropanamide
CID 35341089
2-methyl-1-(5-methyl-2,3-dihydroindol-1-yl)propan-1-one
CID 110713868
1-[(4-methylphenyl)methyl]-3-[(2S)-3-oxobutan-2-yl]imidazolidine-2,4,5-trione
CID 7094445
4-[(4-methylphenyl)methyl]-1-oxo-1,4-thiazinane-3,5-dione
CID 1478954
1'-[(4-methylphenyl)methyl]-3-(2-methylpropanoyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one
CID 42839177
4-[(2,7-dioxoazepan-1-yl)methyl]benzoic acid
CID 43446723
(2R)-5'-chloro-1'-[(4-methylphenyl)methyl]-3-(2-methylpropanoyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one
CID 93186684
2-methyl-1-(7-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)propan-1-one
CID 20996268
8-[(4-fluorophenyl)methyl]-4-methyl-2-[(3S)-1-(2-methylpropanoyl)piperidin-3-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 92629298
4-[(4-methylphenyl)methyl]-1,4-diazepan-5-one
CID 53409912
1-[(4-methylphenyl)methyl]-7-oxo-5,6-dihydro-4H-indole-2-carboxylic acid
CID 123448058

Frequently Asked Questions

What is the IUPAC name of 3-[(4-methylphenyl)methyl]-1-(2-methylpropanoyl)-1,3-diazinane-2,4-dione?
The IUPAC name of 3-[(4-methylphenyl)methyl]-1-(2-methylpropanoyl)-1,3-diazinane-2,4-dione (CID 102471859) is 3-[(4-methylphenyl)methyl]-1-(2-methylpropanoyl)-1,3-diazinane-2,4-dione.
What is the SMILES notation for 3-[(4-methylphenyl)methyl]-1-(2-methylpropanoyl)-1,3-diazinane-2,4-dione?
The canonical SMILES for 3-[(4-methylphenyl)methyl]-1-(2-methylpropanoyl)-1,3-diazinane-2,4-dione is Cc1ccc(CN2C(=O)CCN(C(=O)C(C)C)C2=O)cc1.
What is the InChIKey of 3-[(4-methylphenyl)methyl]-1-(2-methylpropanoyl)-1,3-diazinane-2,4-dione?
The InChIKey is JZJVPMSSRUWBDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-11(2)15(20)17-9-8-14(19)18(16(17)21)10-13-6-4-12(3)5-7-13/h4-7,11H,8-10H2,1-3H3.
What are the key properties of 3-[(4-methylphenyl)methyl]-1-(2-methylpropanoyl)-1,3-diazinane-2,4-dione?
3-[(4-methylphenyl)methyl]-1-(2-methylpropanoyl)-1,3-diazinane-2,4-dione has a molecular weight of 288.35 g/mol, XLogP of 2.33, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methylphenyl)methyl]-1-(2-methylpropanoyl)-1,3-diazinane-2,4-dione is sourced from PubChem (CID 102471859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).