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

C24H24N2O — CID 164786133

IUPAC1-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-[[(1R)-1-phenylethyl]amino]ethanone
SMILESC[C@@H](NCC(=O)N1c2ccccc2CCc2ccccc21)c1ccccc1
InChIInChI=1S/C24H24N2O/c1-18(19-9-3-2-4-10-19)25-17-24(27)26-22-13-7-5-11-20(22)15-16-21-12-6-8-14-23(21)26/h2-14,18,25H,15-17H2,1H3/t18-/m1/s1
InChIKeyUCTAGBZTHVWTLU-GOSISDBHSA-N
MW356.47 g/mol
LogP4.80
Rot. Bonds4

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

1-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-[[(1R)-1-phenylethyl]amino]ethanone (PubChem CID 164786133) has the molecular formula C24H24N2O and a molecular weight of 356.47 g/mol. Its IUPAC name is 1-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-[[(1R)-1-phenylethyl]amino]ethanone.

Molecular Properties

Compound Name1-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-[[(1R)-1-phenylethyl]amino]ethanone
PubChem CID164786133
Molecular FormulaC24H24N2O
Molecular Weight356.47 g/mol
Exact Mass356.19
IUPAC Name1-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-[[(1R)-1-phenylethyl]amino]ethanone
SMILESC[C@@H](NCC(=O)N1c2ccccc2CCc2ccccc21)c1ccccc1
InChIInChI=1S/C24H24N2O/c1-18(19-9-3-2-4-10-19)25-17-24(27)26-22-13-7-5-11-20(22)15-16-21-12-6-8-14-23(21)26/h2-14,18,25H,15-17H2,1H3/t18-/m1/s1
InChIKeyUCTAGBZTHVWTLU-GOSISDBHSA-N
XLogP4.80
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-[[(1R)-1-phenylethyl]amino]ethanone with MolForge

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Related Compounds

1-(2,3-dihydroindol-1-yl)-2-[[(1R)-1-(4-propan-2-ylphenyl)ethyl]amino]ethanone
CID 9439923
1-[2-[[2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-oxoethyl]amino]-2-phenylethyl]pyridin-2-one
CID 166180141
2-[[(1R)-1-phenylethyl]amino]-1-piperidin-1-ylethanone
CID 28564943
2-(1-phenylethylamino)-1-(4-phenylpiperazin-1-yl)ethanone
CID 108997260
(2R)-2-[[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]amino]propanoic acid
CID 83194966
N-[(1R)-1-phenylethyl]-2-[[(1R)-1-phenylethyl]amino]acetamide
CID 7046108
[(2R)-1-[2-[[(1R)-1-phenylethyl]amino]acetyl]pyrrolidin-2-yl]boronic acid
CID 59210958
2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethanone
CID 8635542
ethane;[[(1R)-1-phenylethyl]amino]methanol
CID 157126803
1-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-hydroxy-3-(propan-2-ylamino)propan-1-one;hydrochloride
CID 11726069
1-[(2R)-2-methylpyrrolidin-1-yl]-2-[[(1R)-1-phenylethyl]amino]ethanone
CID 71047036
6-[1-[[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]amino]ethyl]-3,4-dihydro-1H-quinolin-2-one
CID 75442754

Frequently Asked Questions

What is the IUPAC name of 1-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-[[(1R)-1-phenylethyl]amino]ethanone?
The IUPAC name of 1-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-[[(1R)-1-phenylethyl]amino]ethanone (CID 164786133) is 1-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-[[(1R)-1-phenylethyl]amino]ethanone.
What is the SMILES notation for 1-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-[[(1R)-1-phenylethyl]amino]ethanone?
The canonical SMILES for 1-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-[[(1R)-1-phenylethyl]amino]ethanone is C[C@@H](NCC(=O)N1c2ccccc2CCc2ccccc21)c1ccccc1.
What is the InChIKey of 1-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-[[(1R)-1-phenylethyl]amino]ethanone?
The InChIKey is UCTAGBZTHVWTLU-GOSISDBHSA-N. The full InChI is InChI=1S/C24H24N2O/c1-18(19-9-3-2-4-10-19)25-17-24(27)26-22-13-7-5-11-20(22)15-16-21-12-6-8-14-23(21)26/h2-14,18,25H,15-17H2,1H3/t18-/m1/s1.
What are the key properties of 1-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-[[(1R)-1-phenylethyl]amino]ethanone?
1-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-[[(1R)-1-phenylethyl]amino]ethanone has a molecular weight of 356.47 g/mol, XLogP of 4.80, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-[[(1R)-1-phenylethyl]amino]ethanone is sourced from PubChem (CID 164786133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).