2-(3-amino-2-oxo-5-phenyl-4,5-dihydro-3H-1-benzazepin-1-yl)acetamide

C18H19N3O2 — CID 57036053

IUPAC2-(3-amino-2-oxo-5-phenyl-4,5-dihydro-3H-1-benzazepin-1-yl)acetamide
SMILESNC(=O)CN1C(=O)C(N)CC(c2ccccc2)c2ccccc21
InChIInChI=1S/C18H19N3O2/c19-15-10-14(12-6-2-1-3-7-12)13-8-4-5-9-16(13)21(18(15)23)11-17(20)22/h1-9,14-15H,10-11,19H2,(H2,20,22)
InChIKeyZTDMMUYDGARVQA-UHFFFAOYSA-N
MW309.37 g/mol
LogP1.37
Rot. Bonds3

About 2-(3-amino-2-oxo-5-phenyl-4,5-dihydro-3H-1-benzazepin-1-yl)acetamide

2-(3-amino-2-oxo-5-phenyl-4,5-dihydro-3H-1-benzazepin-1-yl)acetamide (PubChem CID 57036053) has the molecular formula C18H19N3O2 and a molecular weight of 309.37 g/mol. Its IUPAC name is 2-(3-amino-2-oxo-5-phenyl-4,5-dihydro-3H-1-benzazepin-1-yl)acetamide.

Molecular Properties

Compound Name2-(3-amino-2-oxo-5-phenyl-4,5-dihydro-3H-1-benzazepin-1-yl)acetamide
PubChem CID57036053
Molecular FormulaC18H19N3O2
Molecular Weight309.37 g/mol
Exact Mass309.15
IUPAC Name2-(3-amino-2-oxo-5-phenyl-4,5-dihydro-3H-1-benzazepin-1-yl)acetamide
SMILESNC(=O)CN1C(=O)C(N)CC(c2ccccc2)c2ccccc21
InChIInChI=1S/C18H19N3O2/c19-15-10-14(12-6-2-1-3-7-12)13-8-4-5-9-16(13)21(18(15)23)11-17(20)22/h1-9,14-15H,10-11,19H2,(H2,20,22)
InChIKeyZTDMMUYDGARVQA-UHFFFAOYSA-N
XLogP1.37
TPSA89.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-2-oxo-5-phenyl-4,5-dihydro-3H-1-benzazepin-1-yl)acetamide?
The IUPAC name of 2-(3-amino-2-oxo-5-phenyl-4,5-dihydro-3H-1-benzazepin-1-yl)acetamide (CID 57036053) is 2-(3-amino-2-oxo-5-phenyl-4,5-dihydro-3H-1-benzazepin-1-yl)acetamide.
What is the SMILES notation for 2-(3-amino-2-oxo-5-phenyl-4,5-dihydro-3H-1-benzazepin-1-yl)acetamide?
The canonical SMILES for 2-(3-amino-2-oxo-5-phenyl-4,5-dihydro-3H-1-benzazepin-1-yl)acetamide is NC(=O)CN1C(=O)C(N)CC(c2ccccc2)c2ccccc21.
What is the InChIKey of 2-(3-amino-2-oxo-5-phenyl-4,5-dihydro-3H-1-benzazepin-1-yl)acetamide?
The InChIKey is ZTDMMUYDGARVQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2/c19-15-10-14(12-6-2-1-3-7-12)13-8-4-5-9-16(13)21(18(15)23)11-17(20)22/h1-9,14-15H,10-11,19H2,(H2,20,22).
What are the key properties of 2-(3-amino-2-oxo-5-phenyl-4,5-dihydro-3H-1-benzazepin-1-yl)acetamide?
2-(3-amino-2-oxo-5-phenyl-4,5-dihydro-3H-1-benzazepin-1-yl)acetamide has a molecular weight of 309.37 g/mol, XLogP of 1.37, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-2-oxo-5-phenyl-4,5-dihydro-3H-1-benzazepin-1-yl)acetamide is sourced from PubChem (CID 57036053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).