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

C17H18N2O — CID 22599547

IUPAC3-amino-1-methyl-5-phenyl-4,5-dihydro-3H-1-benzazepin-2-one
SMILESCN1C(=O)C(N)CC(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
InChIKeyHEMAHWCRDHQVRI-UHFFFAOYSA-N
MW266.34 g/mol
LogP2.51
Rot. Bonds1

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

3-amino-1-methyl-5-phenyl-4,5-dihydro-3H-1-benzazepin-2-one (PubChem CID 22599547) has the molecular formula C17H18N2O and a molecular weight of 266.34 g/mol. Its IUPAC name is 3-amino-1-methyl-5-phenyl-4,5-dihydro-3H-1-benzazepin-2-one.

Molecular Properties

Compound Name3-amino-1-methyl-5-phenyl-4,5-dihydro-3H-1-benzazepin-2-one
PubChem CID22599547
Molecular FormulaC17H18N2O
Molecular Weight266.34 g/mol
Exact Mass266.14
IUPAC Name3-amino-1-methyl-5-phenyl-4,5-dihydro-3H-1-benzazepin-2-one
SMILESCN1C(=O)C(N)CC(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
InChIKeyHEMAHWCRDHQVRI-UHFFFAOYSA-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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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-methyl-5-phenyl-4,5-dihydro-3H-1-benzazepin-2-one?
The IUPAC name of 3-amino-1-methyl-5-phenyl-4,5-dihydro-3H-1-benzazepin-2-one (CID 22599547) is 3-amino-1-methyl-5-phenyl-4,5-dihydro-3H-1-benzazepin-2-one.
What is the SMILES notation for 3-amino-1-methyl-5-phenyl-4,5-dihydro-3H-1-benzazepin-2-one?
The canonical SMILES for 3-amino-1-methyl-5-phenyl-4,5-dihydro-3H-1-benzazepin-2-one is CN1C(=O)C(N)CC(c2ccccc2)c2ccccc21.
What is the InChIKey of 3-amino-1-methyl-5-phenyl-4,5-dihydro-3H-1-benzazepin-2-one?
The InChIKey is HEMAHWCRDHQVRI-UHFFFAOYSA-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.
What are the key properties of 3-amino-1-methyl-5-phenyl-4,5-dihydro-3H-1-benzazepin-2-one?
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 3-amino-1-methyl-5-phenyl-4,5-dihydro-3H-1-benzazepin-2-one is sourced from PubChem (CID 22599547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).