1-(4-methylphenyl)-3-propan-2-yl-1,3-diazinane-2,4-dione

C14H18N2O2 — CID 60837295

IUPAC1-(4-methylphenyl)-3-propan-2-yl-1,3-diazinane-2,4-dione
SMILESCc1ccc(N2CCC(=O)N(C(C)C)C2=O)cc1
InChIInChI=1S/C14H18N2O2/c1-10(2)16-13(17)8-9-15(14(16)18)12-6-4-11(3)5-7-12/h4-7,10H,8-9H2,1-3H3
InChIKeyCTAMTJQEGZEJKL-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.56
Rot. Bonds2

About 1-(4-methylphenyl)-3-propan-2-yl-1,3-diazinane-2,4-dione

1-(4-methylphenyl)-3-propan-2-yl-1,3-diazinane-2,4-dione (PubChem CID 60837295) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 1-(4-methylphenyl)-3-propan-2-yl-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name1-(4-methylphenyl)-3-propan-2-yl-1,3-diazinane-2,4-dione
PubChem CID60837295
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name1-(4-methylphenyl)-3-propan-2-yl-1,3-diazinane-2,4-dione
SMILESCc1ccc(N2CCC(=O)N(C(C)C)C2=O)cc1
InChIInChI=1S/C14H18N2O2/c1-10(2)16-13(17)8-9-15(14(16)18)12-6-4-11(3)5-7-12/h4-7,10H,8-9H2,1-3H3
InChIKeyCTAMTJQEGZEJKL-UHFFFAOYSA-N
XLogP2.56
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-phenyl-3-propan-2-yl-1,3-diazinane-2,4-dione
CID 60836275
1-(4-methylphenyl)-3-phenyl-1,3-diazinane-2,4-dione
CID 60837294
1,3-di(propan-2-yl)-1,3-diazinane-2,4-dione
CID 60644562
ethane;1-(4-methylphenyl)pyrrolidin-2-one
CID 143607645
1-amino-3-(4-methylphenyl)-1,3-diazinan-2-one
CID 58787291
2-methyl-1-(4-methylphenyl)pyrazolidin-3-one
CID 54165134
1-(2-aminopropyl)-2-(4-methylphenyl)pyrazolidin-3-one
CID 105493282
1-ethyl-3-(4-methylphenyl)-1,3-diazinane-2,4-dione
CID 62329323
1-(4-fluorophenyl)-3-propan-2-ylimidazolidin-2-one
CID 129202932
ethane;1-(4-methylphenyl)piperazin-2-one
CID 142224264
6-(4-methylphenyl)-6-azaspiro[2.5]octan-7-one
CID 144760105
2-(4-methylphenyl)-5-propan-2-yl-4H-pyrazol-3-one
CID 43084359

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-3-propan-2-yl-1,3-diazinane-2,4-dione?
The IUPAC name of 1-(4-methylphenyl)-3-propan-2-yl-1,3-diazinane-2,4-dione (CID 60837295) is 1-(4-methylphenyl)-3-propan-2-yl-1,3-diazinane-2,4-dione.
What is the SMILES notation for 1-(4-methylphenyl)-3-propan-2-yl-1,3-diazinane-2,4-dione?
The canonical SMILES for 1-(4-methylphenyl)-3-propan-2-yl-1,3-diazinane-2,4-dione is Cc1ccc(N2CCC(=O)N(C(C)C)C2=O)cc1.
What is the InChIKey of 1-(4-methylphenyl)-3-propan-2-yl-1,3-diazinane-2,4-dione?
The InChIKey is CTAMTJQEGZEJKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-10(2)16-13(17)8-9-15(14(16)18)12-6-4-11(3)5-7-12/h4-7,10H,8-9H2,1-3H3.
What are the key properties of 1-(4-methylphenyl)-3-propan-2-yl-1,3-diazinane-2,4-dione?
1-(4-methylphenyl)-3-propan-2-yl-1,3-diazinane-2,4-dione has a molecular weight of 246.31 g/mol, XLogP of 2.56, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-3-propan-2-yl-1,3-diazinane-2,4-dione is sourced from PubChem (CID 60837295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).