(3S,5S)-3-amino-1-methyl-5-phenyl-4,5-dihydro-3H-1-benzazepin-2-one

C17H18N2O — CID 129383805

IUPAC(3S,5S)-3-amino-1-methyl-5-phenyl-4,5-dihydro-3H-1-benzazepin-2-one
SMILESCN1C(=O)[C@@H](N)C[C@@H](c2ccccc2)c2ccccc21
InChIInChI=1S/C17H18N2O/c1-19-16-10-6-5-9-13(16)14(11-15(18)17(19)20)12-7-3-2-4-8-12/h2-10,14-15H,11,18H2,1H3/t14-,15-/m0/s1
InChIKeyHEMAHWCRDHQVRI-GJZGRUSLSA-N
MW266.34 g/mol
LogP2.51
Rot. Bonds1

About (3S,5S)-3-amino-1-methyl-5-phenyl-4,5-dihydro-3H-1-benzazepin-2-one

(3S,5S)-3-amino-1-methyl-5-phenyl-4,5-dihydro-3H-1-benzazepin-2-one (PubChem CID 129383805) has the molecular formula C17H18N2O and a molecular weight of 266.34 g/mol. Its IUPAC name is (3S,5S)-3-amino-1-methyl-5-phenyl-4,5-dihydro-3H-1-benzazepin-2-one.

Molecular Properties

Compound Name(3S,5S)-3-amino-1-methyl-5-phenyl-4,5-dihydro-3H-1-benzazepin-2-one
PubChem CID129383805
Molecular FormulaC17H18N2O
Molecular Weight266.34 g/mol
Exact Mass266.14
IUPAC Name(3S,5S)-3-amino-1-methyl-5-phenyl-4,5-dihydro-3H-1-benzazepin-2-one
SMILESCN1C(=O)[C@@H](N)C[C@@H](c2ccccc2)c2ccccc21
InChIInChI=1S/C17H18N2O/c1-19-16-10-6-5-9-13(16)14(11-15(18)17(19)20)12-7-3-2-4-8-12/h2-10,14-15H,11,18H2,1H3/t14-,15-/m0/s1
InChIKeyHEMAHWCRDHQVRI-GJZGRUSLSA-N
XLogP2.51
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-1-methyl-5-phenyl-4,5-dihydro-3H-1-benzazepin-2-one
CID 22599547
3-amino-1,5-dimethyl-4,5-dihydro-3H-1-benzazepin-2-one
CID 22312414
2-(3-amino-2-oxo-5-phenyl-4,5-dihydro-3H-1-benzazepin-1-yl)acetamide
CID 57036053
3-amino-1-methyl-4-phenyl-3,4-dihydroquinolin-2-one
CID 22312029
3-amino-1,5-diphenylpyrrolidin-2-one
CID 131864676
1,3-dimethyl-4-phenyl-3,4-dihydroquinolin-2-one
CID 20689381
(3R)-3-amino-1-methyl-3,4-dihydroquinolin-2-one;hydrochloride
CID 69196199
3-amino-1,5-dimethyl-1,5-benzodiazepine-2,4-dione
CID 22312383
2-(3-aminocyclobutyl)-4-methyl-1,4-benzoxazin-3-one
CID 116990987
(4S)-1-methyl-4-phenyl-3,4-dihydro-2H-quinoline
CID 38988807
3-amino-1-methyl-5-methylsulfonyl-3,4-dihydro-1,5-benzodiazepin-2-one;hydrochloride
CID 21072579
3-benzyl-1-methyl-3H-indol-2-one
CID 11207126

Frequently Asked Questions

What is the IUPAC name of (3S,5S)-3-amino-1-methyl-5-phenyl-4,5-dihydro-3H-1-benzazepin-2-one?
The IUPAC name of (3S,5S)-3-amino-1-methyl-5-phenyl-4,5-dihydro-3H-1-benzazepin-2-one (CID 129383805) is (3S,5S)-3-amino-1-methyl-5-phenyl-4,5-dihydro-3H-1-benzazepin-2-one.
What is the SMILES notation for (3S,5S)-3-amino-1-methyl-5-phenyl-4,5-dihydro-3H-1-benzazepin-2-one?
The canonical SMILES for (3S,5S)-3-amino-1-methyl-5-phenyl-4,5-dihydro-3H-1-benzazepin-2-one is CN1C(=O)[C@@H](N)C[C@@H](c2ccccc2)c2ccccc21.
What is the InChIKey of (3S,5S)-3-amino-1-methyl-5-phenyl-4,5-dihydro-3H-1-benzazepin-2-one?
The InChIKey is HEMAHWCRDHQVRI-GJZGRUSLSA-N. The full InChI is InChI=1S/C17H18N2O/c1-19-16-10-6-5-9-13(16)14(11-15(18)17(19)20)12-7-3-2-4-8-12/h2-10,14-15H,11,18H2,1H3/t14-,15-/m0/s1.
What are the key properties of (3S,5S)-3-amino-1-methyl-5-phenyl-4,5-dihydro-3H-1-benzazepin-2-one?
(3S,5S)-3-amino-1-methyl-5-phenyl-4,5-dihydro-3H-1-benzazepin-2-one has a molecular weight of 266.34 g/mol, XLogP of 2.51, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5S)-3-amino-1-methyl-5-phenyl-4,5-dihydro-3H-1-benzazepin-2-one is sourced from PubChem (CID 129383805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).