1-[1-(4-methoxyphenyl)ethyl]-1,3-diazinane-2,4-dione

C13H16N2O3 — CID 79777955

IUPAC1-[1-(4-methoxyphenyl)ethyl]-1,3-diazinane-2,4-dione
SMILESCOc1ccc(C(C)N2CCC(=O)NC2=O)cc1
InChIInChI=1S/C13H16N2O3/c1-9(10-3-5-11(18-2)6-4-10)15-8-7-12(16)14-13(15)17/h3-6,9H,7-8H2,1-2H3,(H,14,16,17)
InChIKeyJLTCKFYHFNEFSH-UHFFFAOYSA-N
MW248.28 g/mol
LogP1.70
Rot. Bonds3

About 1-[1-(4-methoxyphenyl)ethyl]-1,3-diazinane-2,4-dione

1-[1-(4-methoxyphenyl)ethyl]-1,3-diazinane-2,4-dione (PubChem CID 79777955) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is 1-[1-(4-methoxyphenyl)ethyl]-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name1-[1-(4-methoxyphenyl)ethyl]-1,3-diazinane-2,4-dione
PubChem CID79777955
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC Name1-[1-(4-methoxyphenyl)ethyl]-1,3-diazinane-2,4-dione
SMILESCOc1ccc(C(C)N2CCC(=O)NC2=O)cc1
InChIInChI=1S/C13H16N2O3/c1-9(10-3-5-11(18-2)6-4-10)15-8-7-12(16)14-13(15)17/h3-6,9H,7-8H2,1-2H3,(H,14,16,17)
InChIKeyJLTCKFYHFNEFSH-UHFFFAOYSA-N
XLogP1.70
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-methoxyphenyl)ethyl]-1,3-diazinane-2,4-dione?
The IUPAC name of 1-[1-(4-methoxyphenyl)ethyl]-1,3-diazinane-2,4-dione (CID 79777955) is 1-[1-(4-methoxyphenyl)ethyl]-1,3-diazinane-2,4-dione.
What is the SMILES notation for 1-[1-(4-methoxyphenyl)ethyl]-1,3-diazinane-2,4-dione?
The canonical SMILES for 1-[1-(4-methoxyphenyl)ethyl]-1,3-diazinane-2,4-dione is COc1ccc(C(C)N2CCC(=O)NC2=O)cc1.
What is the InChIKey of 1-[1-(4-methoxyphenyl)ethyl]-1,3-diazinane-2,4-dione?
The InChIKey is JLTCKFYHFNEFSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3/c1-9(10-3-5-11(18-2)6-4-10)15-8-7-12(16)14-13(15)17/h3-6,9H,7-8H2,1-2H3,(H,14,16,17).
What are the key properties of 1-[1-(4-methoxyphenyl)ethyl]-1,3-diazinane-2,4-dione?
1-[1-(4-methoxyphenyl)ethyl]-1,3-diazinane-2,4-dione has a molecular weight of 248.28 g/mol, XLogP of 1.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-methoxyphenyl)ethyl]-1,3-diazinane-2,4-dione is sourced from PubChem (CID 79777955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).