4-[2-(dimethylamino)ethyl]-1,3-dihydro-1,4-benzodiazepine-2,5-dione

C13H17N3O2 — CID 122560222

IUPAC4-[2-(dimethylamino)ethyl]-1,3-dihydro-1,4-benzodiazepine-2,5-dione
SMILESCN(C)CCN1CC(=O)Nc2ccccc2C1=O
InChIInChI=1S/C13H17N3O2/c1-15(2)7-8-16-9-12(17)14-11-6-4-3-5-10(11)13(16)18/h3-6H,7-9H2,1-2H3,(H,14,17)
InChIKeyXHGMENHAHJFSCG-UHFFFAOYSA-N
MW247.30 g/mol
LogP0.64
Rot. Bonds3

About 4-[2-(dimethylamino)ethyl]-1,3-dihydro-1,4-benzodiazepine-2,5-dione

4-[2-(dimethylamino)ethyl]-1,3-dihydro-1,4-benzodiazepine-2,5-dione (PubChem CID 122560222) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is 4-[2-(dimethylamino)ethyl]-1,3-dihydro-1,4-benzodiazepine-2,5-dione.

Molecular Properties

Compound Name4-[2-(dimethylamino)ethyl]-1,3-dihydro-1,4-benzodiazepine-2,5-dione
PubChem CID122560222
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name4-[2-(dimethylamino)ethyl]-1,3-dihydro-1,4-benzodiazepine-2,5-dione
SMILESCN(C)CCN1CC(=O)Nc2ccccc2C1=O
InChIInChI=1S/C13H17N3O2/c1-15(2)7-8-16-9-12(17)14-11-6-4-3-5-10(11)13(16)18/h3-6H,7-9H2,1-2H3,(H,14,17)
InChIKeyXHGMENHAHJFSCG-UHFFFAOYSA-N
XLogP0.64
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-(dimethylamino)ethyl]-1,3-dihydroquinoxalin-2-one
CID 117006568
4-[2-(dimethylamino)ethyl]-7-(4-fluorophenyl)-1,3-dihydro-1,4-benzodiazepine-2,5-dione
CID 122558831
4-[2-(dimethylamino)ethyl]-7,8-difluoro-1,3-dihydro-1,4-benzodiazepine-2,5-dione
CID 122558557
6-bromo-4-[2-(dimethylamino)ethyl]-1,3-dihydroquinoxalin-2-one
CID 117006336
2-[2-(dimethylamino)ethyl]-1,6-dihydropyrrolo[3,4-c]carbazol-3-one
CID 67893425
4-[2-(dimethylamino)ethyl]-1,2,3,6-tetrahydro-1,4-benzodiazocin-5-one
CID 117016056
2-chloro-5-[3-(dimethylamino)propyl]-11H-benzo[b][1,4]benzodiazepin-6-one
CID 14409
2-[7-(dimethylamino)heptyl]isoindole-1,3-dione
CID 139959528
1-[3-(dimethylamino)propyl]-3-oxo-2,4-dihydroquinoxaline-6-carbonitrile
CID 117007172
N-[2-[2-(dimethylamino)ethyl]-1-oxo-3H-benzo[de]isoquinolin-6-yl]acetamide
CID 121289138
4-(3-aminobutyl)-1,3-dihydroquinoxalin-2-one
CID 117030686
4-(2,6-dioxopiperidin-3-yl)-1,3-dihydro-1,4-benzodiazepine-2,5-dione
CID 130431899

Frequently Asked Questions

What is the IUPAC name of 4-[2-(dimethylamino)ethyl]-1,3-dihydro-1,4-benzodiazepine-2,5-dione?
The IUPAC name of 4-[2-(dimethylamino)ethyl]-1,3-dihydro-1,4-benzodiazepine-2,5-dione (CID 122560222) is 4-[2-(dimethylamino)ethyl]-1,3-dihydro-1,4-benzodiazepine-2,5-dione.
What is the SMILES notation for 4-[2-(dimethylamino)ethyl]-1,3-dihydro-1,4-benzodiazepine-2,5-dione?
The canonical SMILES for 4-[2-(dimethylamino)ethyl]-1,3-dihydro-1,4-benzodiazepine-2,5-dione is CN(C)CCN1CC(=O)Nc2ccccc2C1=O.
What is the InChIKey of 4-[2-(dimethylamino)ethyl]-1,3-dihydro-1,4-benzodiazepine-2,5-dione?
The InChIKey is XHGMENHAHJFSCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-15(2)7-8-16-9-12(17)14-11-6-4-3-5-10(11)13(16)18/h3-6H,7-9H2,1-2H3,(H,14,17).
What are the key properties of 4-[2-(dimethylamino)ethyl]-1,3-dihydro-1,4-benzodiazepine-2,5-dione?
4-[2-(dimethylamino)ethyl]-1,3-dihydro-1,4-benzodiazepine-2,5-dione has a molecular weight of 247.30 g/mol, XLogP of 0.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(dimethylamino)ethyl]-1,3-dihydro-1,4-benzodiazepine-2,5-dione is sourced from PubChem (CID 122560222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).