7-(tert-butylamino)-5,7-dihydrobenzo[d][1]benzazepin-6-one

C18H20N2O — CID 71049033

IUPAC7-(tert-butylamino)-5,7-dihydrobenzo[d][1]benzazepin-6-one
SMILESCC(C)(C)NC1C(=O)Nc2ccccc2-c2ccccc21
InChIInChI=1S/C18H20N2O/c1-18(2,3)20-16-14-10-5-4-8-12(14)13-9-6-7-11-15(13)19-17(16)21/h4-11,16,20H,1-3H3,(H,19,21)
InChIKeyAUEZUNQMJFZYEJ-UHFFFAOYSA-N
MW280.37 g/mol
LogP3.73
Rot. Bonds1

About 7-(tert-butylamino)-5,7-dihydrobenzo[d][1]benzazepin-6-one

7-(tert-butylamino)-5,7-dihydrobenzo[d][1]benzazepin-6-one (PubChem CID 71049033) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is 7-(tert-butylamino)-5,7-dihydrobenzo[d][1]benzazepin-6-one.

Molecular Properties

Compound Name7-(tert-butylamino)-5,7-dihydrobenzo[d][1]benzazepin-6-one
PubChem CID71049033
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC Name7-(tert-butylamino)-5,7-dihydrobenzo[d][1]benzazepin-6-one
SMILESCC(C)(C)NC1C(=O)Nc2ccccc2-c2ccccc21
InChIInChI=1S/C18H20N2O/c1-18(2,3)20-16-14-10-5-4-8-12(14)13-9-6-7-11-15(13)19-17(16)21/h4-11,16,20H,1-3H3,(H,19,21)
InChIKeyAUEZUNQMJFZYEJ-UHFFFAOYSA-N
XLogP3.73
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-(tert-butylamino)-5,7-dihydrobenzo[d][1]benzazepin-6-one?
The IUPAC name of 7-(tert-butylamino)-5,7-dihydrobenzo[d][1]benzazepin-6-one (CID 71049033) is 7-(tert-butylamino)-5,7-dihydrobenzo[d][1]benzazepin-6-one.
What is the SMILES notation for 7-(tert-butylamino)-5,7-dihydrobenzo[d][1]benzazepin-6-one?
The canonical SMILES for 7-(tert-butylamino)-5,7-dihydrobenzo[d][1]benzazepin-6-one is CC(C)(C)NC1C(=O)Nc2ccccc2-c2ccccc21.
What is the InChIKey of 7-(tert-butylamino)-5,7-dihydrobenzo[d][1]benzazepin-6-one?
The InChIKey is AUEZUNQMJFZYEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O/c1-18(2,3)20-16-14-10-5-4-8-12(14)13-9-6-7-11-15(13)19-17(16)21/h4-11,16,20H,1-3H3,(H,19,21).
What are the key properties of 7-(tert-butylamino)-5,7-dihydrobenzo[d][1]benzazepin-6-one?
7-(tert-butylamino)-5,7-dihydrobenzo[d][1]benzazepin-6-one has a molecular weight of 280.37 g/mol, XLogP of 3.73, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(tert-butylamino)-5,7-dihydrobenzo[d][1]benzazepin-6-one is sourced from PubChem (CID 71049033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).