1-[4-(diethylamino)phenyl]-1,3-diazinane-2,4-dione

C14H19N3O2 — CID 79777843

IUPAC1-[4-(diethylamino)phenyl]-1,3-diazinane-2,4-dione
SMILESCCN(CC)c1ccc(N2CCC(=O)NC2=O)cc1
InChIInChI=1S/C14H19N3O2/c1-3-16(4-2)11-5-7-12(8-6-11)17-10-9-13(18)15-14(17)19/h5-8H,3-4,9-10H2,1-2H3,(H,15,18,19)
InChIKeyGLJZQWMHHQOLBN-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.98
Rot. Bonds4

About 1-[4-(diethylamino)phenyl]-1,3-diazinane-2,4-dione

1-[4-(diethylamino)phenyl]-1,3-diazinane-2,4-dione (PubChem CID 79777843) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 1-[4-(diethylamino)phenyl]-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name1-[4-(diethylamino)phenyl]-1,3-diazinane-2,4-dione
PubChem CID79777843
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name1-[4-(diethylamino)phenyl]-1,3-diazinane-2,4-dione
SMILESCCN(CC)c1ccc(N2CCC(=O)NC2=O)cc1
InChIInChI=1S/C14H19N3O2/c1-3-16(4-2)11-5-7-12(8-6-11)17-10-9-13(18)15-14(17)19/h5-8H,3-4,9-10H2,1-2H3,(H,15,18,19)
InChIKeyGLJZQWMHHQOLBN-UHFFFAOYSA-N
XLogP1.98
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(diethylamino)phenyl]-1,3-diazinane-2,4-dione?
The IUPAC name of 1-[4-(diethylamino)phenyl]-1,3-diazinane-2,4-dione (CID 79777843) is 1-[4-(diethylamino)phenyl]-1,3-diazinane-2,4-dione.
What is the SMILES notation for 1-[4-(diethylamino)phenyl]-1,3-diazinane-2,4-dione?
The canonical SMILES for 1-[4-(diethylamino)phenyl]-1,3-diazinane-2,4-dione is CCN(CC)c1ccc(N2CCC(=O)NC2=O)cc1.
What is the InChIKey of 1-[4-(diethylamino)phenyl]-1,3-diazinane-2,4-dione?
The InChIKey is GLJZQWMHHQOLBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-3-16(4-2)11-5-7-12(8-6-11)17-10-9-13(18)15-14(17)19/h5-8H,3-4,9-10H2,1-2H3,(H,15,18,19).
What are the key properties of 1-[4-(diethylamino)phenyl]-1,3-diazinane-2,4-dione?
1-[4-(diethylamino)phenyl]-1,3-diazinane-2,4-dione has a molecular weight of 261.32 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(diethylamino)phenyl]-1,3-diazinane-2,4-dione is sourced from PubChem (CID 79777843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).