3-(2-oxo-3-phenylpropyl)-1-phenyl-5H-1-benzazepine-2,4-dione

C25H21NO3 — CID 159563796

IUPAC3-(2-oxo-3-phenylpropyl)-1-phenyl-5H-1-benzazepine-2,4-dione
SMILESO=C(Cc1ccccc1)CC1C(=O)Cc2ccccc2N(c2ccccc2)C1=O
InChIInChI=1S/C25H21NO3/c27-21(15-18-9-3-1-4-10-18)17-22-24(28)16-19-11-7-8-14-23(19)26(25(22)29)20-12-5-2-6-13-20/h1-14,22H,15-17H2
InChIKeyMGYKXFNEJZDFPI-UHFFFAOYSA-N
MW383.45 g/mol
LogP4.29
Rot. Bonds5

About 3-(2-oxo-3-phenylpropyl)-1-phenyl-5H-1-benzazepine-2,4-dione

3-(2-oxo-3-phenylpropyl)-1-phenyl-5H-1-benzazepine-2,4-dione (PubChem CID 159563796) has the molecular formula C25H21NO3 and a molecular weight of 383.45 g/mol. Its IUPAC name is 3-(2-oxo-3-phenylpropyl)-1-phenyl-5H-1-benzazepine-2,4-dione.

Molecular Properties

Compound Name3-(2-oxo-3-phenylpropyl)-1-phenyl-5H-1-benzazepine-2,4-dione
PubChem CID159563796
Molecular FormulaC25H21NO3
Molecular Weight383.45 g/mol
Exact Mass383.15
IUPAC Name3-(2-oxo-3-phenylpropyl)-1-phenyl-5H-1-benzazepine-2,4-dione
SMILESO=C(Cc1ccccc1)CC1C(=O)Cc2ccccc2N(c2ccccc2)C1=O
InChIInChI=1S/C25H21NO3/c27-21(15-18-9-3-1-4-10-18)17-22-24(28)16-19-11-7-8-14-23(19)26(25(22)29)20-12-5-2-6-13-20/h1-14,22H,15-17H2
InChIKeyMGYKXFNEJZDFPI-UHFFFAOYSA-N
XLogP4.29
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

(3S)-3-benzyl-1-phenyl-3H-indol-2-one
CID 26367892
3-chloro-1-phenyl-4,5-dihydro-3H-1-benzazepin-2-one
CID 19920996
3-[(2-oxo-3H-indol-1-yl)methyl]-1-phenyl-3H-indol-2-one
CID 123974116
2-phenyl-2-azatetracyclo[15.4.0.03,8.010,15]henicosa-1(21),3,5,7,10,12,14,17,19-nonaene
CID 122432558
3-ethyl-1-phenyl-3,4-dihydroquinolin-2-one
CID 69356546
1-phenyl-5H-1-benzazepine-2,4-dione
CID 67618146
3-(methylamino)-1-phenyl-4,5-dihydro-3H-1-benzazepin-2-one
CID 23554961
1-cyclopentylsulfanyl-3-phenylpropan-2-one
CID 63115475
1-phenyl-3-propyl-3,4-dihydroquinolin-2-one
CID 69356082
1,3-diphenyl(213C)propan-2-one
CID 100945080
1-ethyl-10-phenyl-9H-acridine
CID 175736708
methyl 10-phenyl-2,3,4,9-tetrahydro-1H-acridine-3-carboxylate
CID 70955528

Frequently Asked Questions

What is the IUPAC name of 3-(2-oxo-3-phenylpropyl)-1-phenyl-5H-1-benzazepine-2,4-dione?
The IUPAC name of 3-(2-oxo-3-phenylpropyl)-1-phenyl-5H-1-benzazepine-2,4-dione (CID 159563796) is 3-(2-oxo-3-phenylpropyl)-1-phenyl-5H-1-benzazepine-2,4-dione.
What is the SMILES notation for 3-(2-oxo-3-phenylpropyl)-1-phenyl-5H-1-benzazepine-2,4-dione?
The canonical SMILES for 3-(2-oxo-3-phenylpropyl)-1-phenyl-5H-1-benzazepine-2,4-dione is O=C(Cc1ccccc1)CC1C(=O)Cc2ccccc2N(c2ccccc2)C1=O.
What is the InChIKey of 3-(2-oxo-3-phenylpropyl)-1-phenyl-5H-1-benzazepine-2,4-dione?
The InChIKey is MGYKXFNEJZDFPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21NO3/c27-21(15-18-9-3-1-4-10-18)17-22-24(28)16-19-11-7-8-14-23(19)26(25(22)29)20-12-5-2-6-13-20/h1-14,22H,15-17H2.
What are the key properties of 3-(2-oxo-3-phenylpropyl)-1-phenyl-5H-1-benzazepine-2,4-dione?
3-(2-oxo-3-phenylpropyl)-1-phenyl-5H-1-benzazepine-2,4-dione has a molecular weight of 383.45 g/mol, XLogP of 4.29, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-oxo-3-phenylpropyl)-1-phenyl-5H-1-benzazepine-2,4-dione is sourced from PubChem (CID 159563796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).