1-[9-(benzylamino)-11,12-dihydro-6H-benzo[c][1]benzazocin-5-yl]ethanone

C24H24N2O — CID 11588455

IUPAC1-[9-(benzylamino)-11,12-dihydro-6H-benzo[c][1]benzazocin-5-yl]ethanone
SMILESCC(=O)N1Cc2ccc(NCc3ccccc3)cc2CCc2ccccc21
InChIInChI=1S/C24H24N2O/c1-18(27)26-17-22-13-14-23(25-16-19-7-3-2-4-8-19)15-21(22)12-11-20-9-5-6-10-24(20)26/h2-10,13-15,25H,11-12,16-17H2,1H3
InChIKeyDHTPYUCMUWDBRL-UHFFFAOYSA-N
MW356.47 g/mol
LogP4.95
Rot. Bonds3

About 1-[9-(benzylamino)-11,12-dihydro-6H-benzo[c][1]benzazocin-5-yl]ethanone

1-[9-(benzylamino)-11,12-dihydro-6H-benzo[c][1]benzazocin-5-yl]ethanone (PubChem CID 11588455) has the molecular formula C24H24N2O and a molecular weight of 356.47 g/mol. Its IUPAC name is 1-[9-(benzylamino)-11,12-dihydro-6H-benzo[c][1]benzazocin-5-yl]ethanone.

Molecular Properties

Compound Name1-[9-(benzylamino)-11,12-dihydro-6H-benzo[c][1]benzazocin-5-yl]ethanone
PubChem CID11588455
Molecular FormulaC24H24N2O
Molecular Weight356.47 g/mol
Exact Mass356.19
IUPAC Name1-[9-(benzylamino)-11,12-dihydro-6H-benzo[c][1]benzazocin-5-yl]ethanone
SMILESCC(=O)N1Cc2ccc(NCc3ccccc3)cc2CCc2ccccc21
InChIInChI=1S/C24H24N2O/c1-18(27)26-17-22-13-14-23(25-16-19-7-3-2-4-8-19)15-21(22)12-11-20-9-5-6-10-24(20)26/h2-10,13-15,25H,11-12,16-17H2,1H3
InChIKeyDHTPYUCMUWDBRL-UHFFFAOYSA-N
XLogP4.95
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[9-(benzylamino)-11,12-dihydro-6H-benzo[c][1]benzazocin-5-yl]ethanone?
The IUPAC name of 1-[9-(benzylamino)-11,12-dihydro-6H-benzo[c][1]benzazocin-5-yl]ethanone (CID 11588455) is 1-[9-(benzylamino)-11,12-dihydro-6H-benzo[c][1]benzazocin-5-yl]ethanone.
What is the SMILES notation for 1-[9-(benzylamino)-11,12-dihydro-6H-benzo[c][1]benzazocin-5-yl]ethanone?
The canonical SMILES for 1-[9-(benzylamino)-11,12-dihydro-6H-benzo[c][1]benzazocin-5-yl]ethanone is CC(=O)N1Cc2ccc(NCc3ccccc3)cc2CCc2ccccc21.
What is the InChIKey of 1-[9-(benzylamino)-11,12-dihydro-6H-benzo[c][1]benzazocin-5-yl]ethanone?
The InChIKey is DHTPYUCMUWDBRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O/c1-18(27)26-17-22-13-14-23(25-16-19-7-3-2-4-8-19)15-21(22)12-11-20-9-5-6-10-24(20)26/h2-10,13-15,25H,11-12,16-17H2,1H3.
What are the key properties of 1-[9-(benzylamino)-11,12-dihydro-6H-benzo[c][1]benzazocin-5-yl]ethanone?
1-[9-(benzylamino)-11,12-dihydro-6H-benzo[c][1]benzazocin-5-yl]ethanone has a molecular weight of 356.47 g/mol, XLogP of 4.95, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[9-(benzylamino)-11,12-dihydro-6H-benzo[c][1]benzazocin-5-yl]ethanone is sourced from PubChem (CID 11588455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).