[(1R)-2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-oxo-1-phenylethyl] acetate

C24H21NO3 — CID 7282772

IUPAC[(1R)-2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-oxo-1-phenylethyl] acetate
SMILESCC(=O)O[C@@H](C(=O)N1c2ccccc2CCc2ccccc21)c1ccccc1
InChIInChI=1S/C24H21NO3/c1-17(26)28-23(20-11-3-2-4-12-20)24(27)25-21-13-7-5-9-18(21)15-16-19-10-6-8-14-22(19)25/h2-14,23H,15-16H2,1H3/t23-/m1/s1
InChIKeyICZPEYVZKDYYIW-HSZRJFAPSA-N
MW371.44 g/mol
LogP4.75
Rot. Bonds3

About [(1R)-2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-oxo-1-phenylethyl] acetate

[(1R)-2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-oxo-1-phenylethyl] acetate (PubChem CID 7282772) has the molecular formula C24H21NO3 and a molecular weight of 371.44 g/mol. Its IUPAC name is [(1R)-2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-oxo-1-phenylethyl] acetate.

Molecular Properties

Compound Name[(1R)-2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-oxo-1-phenylethyl] acetate
PubChem CID7282772
Molecular FormulaC24H21NO3
Molecular Weight371.44 g/mol
Exact Mass371.15
IUPAC Name[(1R)-2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-oxo-1-phenylethyl] acetate
SMILESCC(=O)O[C@@H](C(=O)N1c2ccccc2CCc2ccccc21)c1ccccc1
InChIInChI=1S/C24H21NO3/c1-17(26)28-23(20-11-3-2-4-12-20)24(27)25-21-13-7-5-9-18(21)15-16-19-10-6-8-14-22(19)25/h2-14,23H,15-16H2,1H3/t23-/m1/s1
InChIKeyICZPEYVZKDYYIW-HSZRJFAPSA-N
XLogP4.75
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[(1R)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl] acetate
CID 901702
[(1S)-2-[(4bR,9bS)-9b,10-dihydro-4bH-indeno[1,2-b]indol-5-yl]-2-oxo-1-phenylethyl] acetate
CID 124853991
(2R)-2-chloro-1-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)propan-1-one
CID 763093
(2S)-2-chloro-1-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)propan-1-one
CID 763090
acetyl (2R)-2-acetyloxy-2-phenylacetate
CID 57080873
[(1R)-2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxo-1-phenylethyl] acetate
CID 7272419
[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxo-1-phenylethyl] acetate
CID 2930820
(2,3,3-trifluoro-1-phenylprop-2-enyl) acetate
CID 11984228
1-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-[[(1R)-1-phenylethyl]amino]ethanone
CID 164786133
[(1S)-2-[7-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]-2-oxo-1-phenylethyl] acetate
CID 58857267
[(5S)-11-[amino(hydroxy)methyl]-5,6-dihydrobenzo[b][1]benzazepin-5-yl] (2R)-2-acetyloxy-2-phenylacetate
CID 130348249
[(1R)-2-[(1R)-1-(2-nitrophenyl)-3,4-dihydro-1H-isoquinolin-2-yl]-2-oxo-1-phenylethyl] acetate
CID 12031457

Frequently Asked Questions

What is the IUPAC name of [(1R)-2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-oxo-1-phenylethyl] acetate?
The IUPAC name of [(1R)-2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-oxo-1-phenylethyl] acetate (CID 7282772) is [(1R)-2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-oxo-1-phenylethyl] acetate.
What is the SMILES notation for [(1R)-2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-oxo-1-phenylethyl] acetate?
The canonical SMILES for [(1R)-2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-oxo-1-phenylethyl] acetate is CC(=O)O[C@@H](C(=O)N1c2ccccc2CCc2ccccc21)c1ccccc1.
What is the InChIKey of [(1R)-2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-oxo-1-phenylethyl] acetate?
The InChIKey is ICZPEYVZKDYYIW-HSZRJFAPSA-N. The full InChI is InChI=1S/C24H21NO3/c1-17(26)28-23(20-11-3-2-4-12-20)24(27)25-21-13-7-5-9-18(21)15-16-19-10-6-8-14-22(19)25/h2-14,23H,15-16H2,1H3/t23-/m1/s1.
What are the key properties of [(1R)-2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-oxo-1-phenylethyl] acetate?
[(1R)-2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-oxo-1-phenylethyl] acetate has a molecular weight of 371.44 g/mol, XLogP of 4.75, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-oxo-1-phenylethyl] acetate is sourced from PubChem (CID 7282772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).