3-tert-butyl-1-phenyl-1,4-diazepane-2,5-dione

C15H20N2O2 — CID 64958740

IUPAC3-tert-butyl-1-phenyl-1,4-diazepane-2,5-dione
SMILESCC(C)(C)C1NC(=O)CCN(c2ccccc2)C1=O
InChIInChI=1S/C15H20N2O2/c1-15(2,3)13-14(19)17(10-9-12(18)16-13)11-7-5-4-6-8-11/h4-8,13H,9-10H2,1-3H3,(H,16,18)
InChIKeyGOWZAYFNBLAIDM-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.95
Rot. Bonds1

About 3-tert-butyl-1-phenyl-1,4-diazepane-2,5-dione

3-tert-butyl-1-phenyl-1,4-diazepane-2,5-dione (PubChem CID 64958740) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 3-tert-butyl-1-phenyl-1,4-diazepane-2,5-dione.

Molecular Properties

Compound Name3-tert-butyl-1-phenyl-1,4-diazepane-2,5-dione
PubChem CID64958740
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name3-tert-butyl-1-phenyl-1,4-diazepane-2,5-dione
SMILESCC(C)(C)C1NC(=O)CCN(c2ccccc2)C1=O
InChIInChI=1S/C15H20N2O2/c1-15(2,3)13-14(19)17(10-9-12(18)16-13)11-7-5-4-6-8-11/h4-8,13H,9-10H2,1-3H3,(H,16,18)
InChIKeyGOWZAYFNBLAIDM-UHFFFAOYSA-N
XLogP1.95
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-tert-butyl-1-phenyl-1,4-diazepane-2,5-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-tert-butyl-1-(2-iodophenyl)-1,4-diazepane-2,5-dione
CID 64962870
3-cyclopropyl-1-phenyl-1,4-diazepane-2,5-dione
CID 64958816
3-tert-butyl-1-(2-chloro-6-methylphenyl)-1,4-diazepane-2,5-dione
CID 66256071
3-tert-butyl-1-(2,5-dimethylphenyl)-1,4-diazepane-2,5-dione
CID 64955384
3-tert-butyl-1-methyl-1,4-diazepane-2,5-dione
CID 64882259
1-(2-bromo-5-methylphenyl)-3-tert-butyl-1,4-diazepane-2,5-dione
CID 82751001
3-tert-butyl-1-(2-chloro-5-fluorophenyl)-1,4-diazepane-2,5-dione
CID 107531603
3-tert-butyl-1-cyclopropyl-1,4-diazepane-2,5-dione
CID 64958485
3-tert-butyl-1-(3-methylsulfanylphenyl)piperazine-2,5-dione
CID 64961811
3-amino-1-phenylazepan-2-one
CID 59657864
(3S)-1-phenyl-3-propan-2-ylpiperidin-2-one
CID 135182975
3-phenyl-1-pyrimidin-5-yl-1,4-diazepane-2,5-dione
CID 107590309

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-1-phenyl-1,4-diazepane-2,5-dione?
The IUPAC name of 3-tert-butyl-1-phenyl-1,4-diazepane-2,5-dione (CID 64958740) is 3-tert-butyl-1-phenyl-1,4-diazepane-2,5-dione.
What is the SMILES notation for 3-tert-butyl-1-phenyl-1,4-diazepane-2,5-dione?
The canonical SMILES for 3-tert-butyl-1-phenyl-1,4-diazepane-2,5-dione is CC(C)(C)C1NC(=O)CCN(c2ccccc2)C1=O.
What is the InChIKey of 3-tert-butyl-1-phenyl-1,4-diazepane-2,5-dione?
The InChIKey is GOWZAYFNBLAIDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-15(2,3)13-14(19)17(10-9-12(18)16-13)11-7-5-4-6-8-11/h4-8,13H,9-10H2,1-3H3,(H,16,18).
What are the key properties of 3-tert-butyl-1-phenyl-1,4-diazepane-2,5-dione?
3-tert-butyl-1-phenyl-1,4-diazepane-2,5-dione has a molecular weight of 260.34 g/mol, XLogP of 1.95, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-1-phenyl-1,4-diazepane-2,5-dione is sourced from PubChem (CID 64958740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).