1-(6,11-dihydro-5H-benzo[b][1]benzazepin-2-ylamino)propan-2-one

C17H18N2O — CID 154158729

IUPAC1-(6,11-dihydro-5H-benzo[b][1]benzazepin-2-ylamino)propan-2-one
SMILESCC(=O)CNc1ccc2c(c1)Nc1ccccc1CC2
InChIInChI=1S/C17H18N2O/c1-12(20)11-18-15-9-8-14-7-6-13-4-2-3-5-16(13)19-17(14)10-15/h2-5,8-10,18-19H,6-7,11H2,1H3
InChIKeyFISJLVFEHNURGW-UHFFFAOYSA-N
MW266.34 g/mol
LogP3.53
Rot. Bonds3

About 1-(6,11-dihydro-5H-benzo[b][1]benzazepin-2-ylamino)propan-2-one

1-(6,11-dihydro-5H-benzo[b][1]benzazepin-2-ylamino)propan-2-one (PubChem CID 154158729) has the molecular formula C17H18N2O and a molecular weight of 266.34 g/mol. Its IUPAC name is 1-(6,11-dihydro-5H-benzo[b][1]benzazepin-2-ylamino)propan-2-one.

Molecular Properties

Compound Name1-(6,11-dihydro-5H-benzo[b][1]benzazepin-2-ylamino)propan-2-one
PubChem CID154158729
Molecular FormulaC17H18N2O
Molecular Weight266.34 g/mol
Exact Mass266.14
IUPAC Name1-(6,11-dihydro-5H-benzo[b][1]benzazepin-2-ylamino)propan-2-one
SMILESCC(=O)CNc1ccc2c(c1)Nc1ccccc1CC2
InChIInChI=1S/C17H18N2O/c1-12(20)11-18-15-9-8-14-7-6-13-4-2-3-5-16(13)19-17(14)10-15/h2-5,8-10,18-19H,6-7,11H2,1H3
InChIKeyFISJLVFEHNURGW-UHFFFAOYSA-N
XLogP3.53
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(6,11-dihydro-5H-benzo[b][1]benzazepin-2-yl)-2-propylpentanamide
CID 2839733
propan-2-yl N-(6,11-dihydro-5H-benzo[b][1]benzazepin-2-yl)carbamate
CID 781231
1-(2,3-dihydro-1H-inden-5-ylamino)propan-2-one
CID 115234414
butyl N-(6,11-dihydro-5H-benzo[b][1]benzazepin-2-yl)carbamate
CID 130317864
6,11-dihydro-5H-benzo[b][1]benzazepine-2-carboxamide
CID 91028665
N-(6,11-dihydro-5H-benzo[b][1]benzazepin-2-yl)-3,4,5-trimethoxybenzamide
CID 1377912
1-[4-(2-oxopropylamino)anilino]propan-2-one
CID 141317857
N-benzyl-6,11-dihydro-5H-benzo[b][1]benzazepin-3-amine
CID 22664192
N-(6,11-dihydro-5H-benzo[b][1]benzazepin-2-yl)-3-oxo-2-propan-2-ylpiperazine-1-carboxamide
CID 118789970
1-(2-bromo-6,11-dihydro-5H-benzo[b][1]benzazepin-1-yl)ethanone
CID 125472480
N,N-dimethyl-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)amino]acetamide
CID 82498512
1-[3-(2-hydroxyethyl)anilino]propan-2-one
CID 174381535

Frequently Asked Questions

What is the IUPAC name of 1-(6,11-dihydro-5H-benzo[b][1]benzazepin-2-ylamino)propan-2-one?
The IUPAC name of 1-(6,11-dihydro-5H-benzo[b][1]benzazepin-2-ylamino)propan-2-one (CID 154158729) is 1-(6,11-dihydro-5H-benzo[b][1]benzazepin-2-ylamino)propan-2-one.
What is the SMILES notation for 1-(6,11-dihydro-5H-benzo[b][1]benzazepin-2-ylamino)propan-2-one?
The canonical SMILES for 1-(6,11-dihydro-5H-benzo[b][1]benzazepin-2-ylamino)propan-2-one is CC(=O)CNc1ccc2c(c1)Nc1ccccc1CC2.
What is the InChIKey of 1-(6,11-dihydro-5H-benzo[b][1]benzazepin-2-ylamino)propan-2-one?
The InChIKey is FISJLVFEHNURGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O/c1-12(20)11-18-15-9-8-14-7-6-13-4-2-3-5-16(13)19-17(14)10-15/h2-5,8-10,18-19H,6-7,11H2,1H3.
What are the key properties of 1-(6,11-dihydro-5H-benzo[b][1]benzazepin-2-ylamino)propan-2-one?
1-(6,11-dihydro-5H-benzo[b][1]benzazepin-2-ylamino)propan-2-one has a molecular weight of 266.34 g/mol, XLogP of 3.53, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6,11-dihydro-5H-benzo[b][1]benzazepin-2-ylamino)propan-2-one is sourced from PubChem (CID 154158729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).