3-(methylamino)-1-phenyl-4,5-dihydro-3H-1-benzazepin-2-one

C17H18N2O — CID 23554961

IUPAC3-(methylamino)-1-phenyl-4,5-dihydro-3H-1-benzazepin-2-one
SMILESCNC1CCc2ccccc2N(c2ccccc2)C1=O
InChIInChI=1S/C17H18N2O/c1-18-15-12-11-13-7-5-6-10-16(13)19(17(15)20)14-8-3-2-4-9-14/h2-10,15,18H,11-12H2,1H3
InChIKeyAPMVWGCKPPIKLX-UHFFFAOYSA-N
MW266.34 g/mol
LogP2.89
Rot. Bonds2

About 3-(methylamino)-1-phenyl-4,5-dihydro-3H-1-benzazepin-2-one

3-(methylamino)-1-phenyl-4,5-dihydro-3H-1-benzazepin-2-one (PubChem CID 23554961) has the molecular formula C17H18N2O and a molecular weight of 266.34 g/mol. Its IUPAC name is 3-(methylamino)-1-phenyl-4,5-dihydro-3H-1-benzazepin-2-one.

Molecular Properties

Compound Name3-(methylamino)-1-phenyl-4,5-dihydro-3H-1-benzazepin-2-one
PubChem CID23554961
Molecular FormulaC17H18N2O
Molecular Weight266.34 g/mol
Exact Mass266.14
IUPAC Name3-(methylamino)-1-phenyl-4,5-dihydro-3H-1-benzazepin-2-one
SMILESCNC1CCc2ccccc2N(c2ccccc2)C1=O
InChIInChI=1S/C17H18N2O/c1-18-15-12-11-13-7-5-6-10-16(13)19(17(15)20)14-8-3-2-4-9-14/h2-10,15,18H,11-12H2,1H3
InChIKeyAPMVWGCKPPIKLX-UHFFFAOYSA-N
XLogP2.89
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(methylamino)-1-phenyl-4,5-dihydro-3H-1-benzazepin-2-one 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-chloro-1-phenyl-4,5-dihydro-3H-1-benzazepin-2-one
CID 19920996
tert-butyl N-[1-(4-iodophenyl)-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]carbamate
CID 22313500
3-ethyl-1-phenyl-3,4-dihydroquinolin-2-one
CID 69356546
1-cyclohexyl-3-(methylamino)-4,5-dihydro-3H-1-benzazepin-2-one;1-cyclohexyl-5-methyl-3-(methylamino)-4,5-dihydro-3H-1-benzazepin-2-one;1-cyclopentyl-3-(methylamino)-4,5-dihydro-3H-1-benzazepin-2-one;1-cyclopentyl-5-methyl-3-(methylamino)-4,5-dihydro-3H-1-benzazepin-2-one;1-cyclopropyl-3-(methylamino)-4,5-dihydro-3H-1-benzazepin-2-one;1-cyclopropyl-5-methyl-3-(methylamino)-4,5-dihydro-3H-1-benzazepin-2-one;1-ethyl-3-(methylamino)-4,5-dihydro-3H-1-benzazepin-2-one;1-ethyl-5-methyl-3-(methylamino)-4,5-dihydro-3H-1-benzazepin-2-one;3-(methylamino)-1-phenyl-4,5-dihydro-3H-1-benzazepin-2-one;3-(methylamino)-1-propan-2-yl-4,5-dihydro-3H-1-benzazepin-2-one;5-methyl-3-(methylamino)-1-phenyl-4,5-dihydro-3H-1-benzazepin-2-one;5-methyl-3-(methylamino)-1-propan-2-yl-4,5-dihydro-3H-1-benzazepin-2-one
CID 159609597
3-(methylamino)-1-phenylazepan-2-one
CID 20589821
1-phenyl-3-propyl-3,4-dihydroquinolin-2-one
CID 69356082
N-methyl-2,3-dihydro-1H-inden-1-amine;hydrochloride
CID 18627798
3-(2,3-dihydroindol-1-yl)-1-phenylpyrrolidine-2,5-dione
CID 4296166
2-cyclopropyl-4-(methylamino)-4,5-dihydro-1H-2-benzazepin-3-one
CID 23554994
4-[3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxo-3,4-dihydroquinolin-1-yl]benzoic acid
CID 170679933
methyl 1-phenyl-3,4-dihydro-2H-quinoline-2-carboxylate
CID 11492698
(3R)-3-methyl-1-phenyl-3H-indol-2-one
CID 6951281

Frequently Asked Questions

What is the IUPAC name of 3-(methylamino)-1-phenyl-4,5-dihydro-3H-1-benzazepin-2-one?
The IUPAC name of 3-(methylamino)-1-phenyl-4,5-dihydro-3H-1-benzazepin-2-one (CID 23554961) is 3-(methylamino)-1-phenyl-4,5-dihydro-3H-1-benzazepin-2-one.
What is the SMILES notation for 3-(methylamino)-1-phenyl-4,5-dihydro-3H-1-benzazepin-2-one?
The canonical SMILES for 3-(methylamino)-1-phenyl-4,5-dihydro-3H-1-benzazepin-2-one is CNC1CCc2ccccc2N(c2ccccc2)C1=O.
What is the InChIKey of 3-(methylamino)-1-phenyl-4,5-dihydro-3H-1-benzazepin-2-one?
The InChIKey is APMVWGCKPPIKLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O/c1-18-15-12-11-13-7-5-6-10-16(13)19(17(15)20)14-8-3-2-4-9-14/h2-10,15,18H,11-12H2,1H3.
What are the key properties of 3-(methylamino)-1-phenyl-4,5-dihydro-3H-1-benzazepin-2-one?
3-(methylamino)-1-phenyl-4,5-dihydro-3H-1-benzazepin-2-one has a molecular weight of 266.34 g/mol, XLogP of 2.89, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylamino)-1-phenyl-4,5-dihydro-3H-1-benzazepin-2-one is sourced from PubChem (CID 23554961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).