1-ethyl-3-(4-methylphenyl)-1,3-diazinane-2,4-dione

C13H16N2O2 — CID 62329323

IUPAC1-ethyl-3-(4-methylphenyl)-1,3-diazinane-2,4-dione
SMILESCCN1CCC(=O)N(c2ccc(C)cc2)C1=O
InChIInChI=1S/C13H16N2O2/c1-3-14-9-8-12(16)15(13(14)17)11-6-4-10(2)5-7-11/h4-7H,3,8-9H2,1-2H3
InChIKeyDSVMEYYPJKYIAY-UHFFFAOYSA-N
MW232.28 g/mol
LogP2.17
Rot. Bonds2

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

1-ethyl-3-(4-methylphenyl)-1,3-diazinane-2,4-dione (PubChem CID 62329323) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is 1-ethyl-3-(4-methylphenyl)-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name1-ethyl-3-(4-methylphenyl)-1,3-diazinane-2,4-dione
PubChem CID62329323
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name1-ethyl-3-(4-methylphenyl)-1,3-diazinane-2,4-dione
SMILESCCN1CCC(=O)N(c2ccc(C)cc2)C1=O
InChIInChI=1S/C13H16N2O2/c1-3-14-9-8-12(16)15(13(14)17)11-6-4-10(2)5-7-11/h4-7H,3,8-9H2,1-2H3
InChIKeyDSVMEYYPJKYIAY-UHFFFAOYSA-N
XLogP2.17
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(4-methylphenyl)-1,3-diazinane-2,4-dione?
The IUPAC name of 1-ethyl-3-(4-methylphenyl)-1,3-diazinane-2,4-dione (CID 62329323) is 1-ethyl-3-(4-methylphenyl)-1,3-diazinane-2,4-dione.
What is the SMILES notation for 1-ethyl-3-(4-methylphenyl)-1,3-diazinane-2,4-dione?
The canonical SMILES for 1-ethyl-3-(4-methylphenyl)-1,3-diazinane-2,4-dione is CCN1CCC(=O)N(c2ccc(C)cc2)C1=O.
What is the InChIKey of 1-ethyl-3-(4-methylphenyl)-1,3-diazinane-2,4-dione?
The InChIKey is DSVMEYYPJKYIAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-3-14-9-8-12(16)15(13(14)17)11-6-4-10(2)5-7-11/h4-7H,3,8-9H2,1-2H3.
What are the key properties of 1-ethyl-3-(4-methylphenyl)-1,3-diazinane-2,4-dione?
1-ethyl-3-(4-methylphenyl)-1,3-diazinane-2,4-dione has a molecular weight of 232.28 g/mol, XLogP of 2.17, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(4-methylphenyl)-1,3-diazinane-2,4-dione is sourced from PubChem (CID 62329323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).