N-(4-ethylphenyl)-2,6-dioxo-1,3-diazinane-4-carboxamide

C13H15N3O3 — CID 167013292

IUPACN-(4-ethylphenyl)-2,6-dioxo-1,3-diazinane-4-carboxamide
SMILESCCc1ccc(NC(=O)C2CC(=O)NC(=O)N2)cc1
InChIInChI=1S/C13H15N3O3/c1-2-8-3-5-9(6-4-8)14-12(18)10-7-11(17)16-13(19)15-10/h3-6,10H,2,7H2,1H3,(H,14,18)(H2,15,16,17,19)
InChIKeyAEIQEMSIFPFWHR-UHFFFAOYSA-N
MW261.28 g/mol
LogP0.79
Rot. Bonds3

About N-(4-ethylphenyl)-2,6-dioxo-1,3-diazinane-4-carboxamide

N-(4-ethylphenyl)-2,6-dioxo-1,3-diazinane-4-carboxamide (PubChem CID 167013292) has the molecular formula C13H15N3O3 and a molecular weight of 261.28 g/mol. Its IUPAC name is N-(4-ethylphenyl)-2,6-dioxo-1,3-diazinane-4-carboxamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-2,6-dioxo-1,3-diazinane-4-carboxamide
PubChem CID167013292
Molecular FormulaC13H15N3O3
Molecular Weight261.28 g/mol
Exact Mass261.11
IUPAC NameN-(4-ethylphenyl)-2,6-dioxo-1,3-diazinane-4-carboxamide
SMILESCCc1ccc(NC(=O)C2CC(=O)NC(=O)N2)cc1
InChIInChI=1S/C13H15N3O3/c1-2-8-3-5-9(6-4-8)14-12(18)10-7-11(17)16-13(19)15-10/h3-6,10H,2,7H2,1H3,(H,14,18)(H2,15,16,17,19)
InChIKeyAEIQEMSIFPFWHR-UHFFFAOYSA-N
XLogP0.79
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 50.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-2,6-dioxo-1,3-diazinane-4-carboxamide?
The IUPAC name of N-(4-ethylphenyl)-2,6-dioxo-1,3-diazinane-4-carboxamide (CID 167013292) is N-(4-ethylphenyl)-2,6-dioxo-1,3-diazinane-4-carboxamide.
What is the SMILES notation for N-(4-ethylphenyl)-2,6-dioxo-1,3-diazinane-4-carboxamide?
The canonical SMILES for N-(4-ethylphenyl)-2,6-dioxo-1,3-diazinane-4-carboxamide is CCc1ccc(NC(=O)C2CC(=O)NC(=O)N2)cc1.
What is the InChIKey of N-(4-ethylphenyl)-2,6-dioxo-1,3-diazinane-4-carboxamide?
The InChIKey is AEIQEMSIFPFWHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3/c1-2-8-3-5-9(6-4-8)14-12(18)10-7-11(17)16-13(19)15-10/h3-6,10H,2,7H2,1H3,(H,14,18)(H2,15,16,17,19).
What are the key properties of N-(4-ethylphenyl)-2,6-dioxo-1,3-diazinane-4-carboxamide?
N-(4-ethylphenyl)-2,6-dioxo-1,3-diazinane-4-carboxamide has a molecular weight of 261.28 g/mol, XLogP of 0.79, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-2,6-dioxo-1,3-diazinane-4-carboxamide is sourced from PubChem (CID 167013292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).