1-[1-(2-methyl-4-pentan-2-ylphenyl)ethenyl]-1,3-diazinane-2,4-dione

C18H24N2O2 — CID 166116956

IUPAC1-[1-(2-methyl-4-pentan-2-ylphenyl)ethenyl]-1,3-diazinane-2,4-dione
SMILESC=C(c1ccc(C(C)CCC)cc1C)N1CCC(=O)NC1=O
InChIInChI=1S/C18H24N2O2/c1-5-6-12(2)15-7-8-16(13(3)11-15)14(4)20-10-9-17(21)19-18(20)22/h7-8,11-12H,4-6,9-10H2,1-3H3,(H,19,21,22)
InChIKeyQFLQGBSAINADGQ-UHFFFAOYSA-N
MW300.40 g/mol
LogP3.81
Rot. Bonds5

About 1-[1-(2-methyl-4-pentan-2-ylphenyl)ethenyl]-1,3-diazinane-2,4-dione

1-[1-(2-methyl-4-pentan-2-ylphenyl)ethenyl]-1,3-diazinane-2,4-dione (PubChem CID 166116956) has the molecular formula C18H24N2O2 and a molecular weight of 300.40 g/mol. Its IUPAC name is 1-[1-(2-methyl-4-pentan-2-ylphenyl)ethenyl]-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name1-[1-(2-methyl-4-pentan-2-ylphenyl)ethenyl]-1,3-diazinane-2,4-dione
PubChem CID166116956
Molecular FormulaC18H24N2O2
Molecular Weight300.40 g/mol
Exact Mass300.18
IUPAC Name1-[1-(2-methyl-4-pentan-2-ylphenyl)ethenyl]-1,3-diazinane-2,4-dione
SMILESC=C(c1ccc(C(C)CCC)cc1C)N1CCC(=O)NC1=O
InChIInChI=1S/C18H24N2O2/c1-5-6-12(2)15-7-8-16(13(3)11-15)14(4)20-10-9-17(21)19-18(20)22/h7-8,11-12H,4-6,9-10H2,1-3H3,(H,19,21,22)
InChIKeyQFLQGBSAINADGQ-UHFFFAOYSA-N
XLogP3.81
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-5-pentan-2-ylphenol
CID 130033342
methyl 1-(2-methyl-5-pentan-2-ylphenyl)-4-oxopiperidine-3-carboxylate
CID 144518628
2-(3,4-dimethylphenyl)octane-4,5-diol
CID 83927974
1,2-dimethyl-4-[(2S)-4-(2-methyl-3-prop-1-en-2-ylphenyl)butan-2-yl]benzene
CID 142540291
1-[(3S)-3-(3,4-dimethylphenyl)butyl]-3-ethyl-2-methylbenzene
CID 142540092
2-methyl-4-propan-2-ylbenzoic acid
CID 22444417
2-bromo-5-pentan-2-ylphenol
CID 21321756
4-[(1S)-1-aminoethyl]-2-methylbenzoic acid;hydrochloride
CID 66868233
N-[1-(4-ethylphenyl)ethyl]-4-methyl-3-pyrrolidin-1-ylsulfonylbenzamide
CID 133166385
5-(2-aminoacetyl)-6-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one
CID 84627467
1-[2,4-di(propan-2-yl)phenyl]-1,3-diazinane-2,4-dione
CID 167282782
1-ethylsulfonyl-4-(2-methyl-5-propan-2-ylphenyl)sulfonylpiperazine
CID 110819026

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-methyl-4-pentan-2-ylphenyl)ethenyl]-1,3-diazinane-2,4-dione?
The IUPAC name of 1-[1-(2-methyl-4-pentan-2-ylphenyl)ethenyl]-1,3-diazinane-2,4-dione (CID 166116956) is 1-[1-(2-methyl-4-pentan-2-ylphenyl)ethenyl]-1,3-diazinane-2,4-dione.
What is the SMILES notation for 1-[1-(2-methyl-4-pentan-2-ylphenyl)ethenyl]-1,3-diazinane-2,4-dione?
The canonical SMILES for 1-[1-(2-methyl-4-pentan-2-ylphenyl)ethenyl]-1,3-diazinane-2,4-dione is C=C(c1ccc(C(C)CCC)cc1C)N1CCC(=O)NC1=O.
What is the InChIKey of 1-[1-(2-methyl-4-pentan-2-ylphenyl)ethenyl]-1,3-diazinane-2,4-dione?
The InChIKey is QFLQGBSAINADGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2/c1-5-6-12(2)15-7-8-16(13(3)11-15)14(4)20-10-9-17(21)19-18(20)22/h7-8,11-12H,4-6,9-10H2,1-3H3,(H,19,21,22).
What are the key properties of 1-[1-(2-methyl-4-pentan-2-ylphenyl)ethenyl]-1,3-diazinane-2,4-dione?
1-[1-(2-methyl-4-pentan-2-ylphenyl)ethenyl]-1,3-diazinane-2,4-dione has a molecular weight of 300.40 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-methyl-4-pentan-2-ylphenyl)ethenyl]-1,3-diazinane-2,4-dione is sourced from PubChem (CID 166116956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).