5-ethoxy-5,6-dihydrobenzo[b][1]benzazepine-11-carboxamide

C17H18N2O2 — CID 2847675

IUPAC5-ethoxy-5,6-dihydrobenzo[b][1]benzazepine-11-carboxamide
SMILESCCOC1Cc2ccccc2N(C(N)=O)c2ccccc21
InChIInChI=1S/C17H18N2O2/c1-2-21-16-11-12-7-3-5-9-14(12)19(17(18)20)15-10-6-4-8-13(15)16/h3-10,16H,2,11H2,1H3,(H2,18,20)
InChIKeyHTCPWJGLIRJFIX-UHFFFAOYSA-N
MW282.34 g/mol
LogP3.54
Rot. Bonds2

About 5-ethoxy-5,6-dihydrobenzo[b][1]benzazepine-11-carboxamide

5-ethoxy-5,6-dihydrobenzo[b][1]benzazepine-11-carboxamide (PubChem CID 2847675) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is 5-ethoxy-5,6-dihydrobenzo[b][1]benzazepine-11-carboxamide.

Molecular Properties

Compound Name5-ethoxy-5,6-dihydrobenzo[b][1]benzazepine-11-carboxamide
PubChem CID2847675
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC Name5-ethoxy-5,6-dihydrobenzo[b][1]benzazepine-11-carboxamide
SMILESCCOC1Cc2ccccc2N(C(N)=O)c2ccccc21
InChIInChI=1S/C17H18N2O2/c1-2-21-16-11-12-7-3-5-9-14(12)19(17(18)20)15-10-6-4-8-13(15)16/h3-10,16H,2,11H2,1H3,(H2,18,20)
InChIKeyHTCPWJGLIRJFIX-UHFFFAOYSA-N
XLogP3.54
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(11-carbamoyl-5,6-dihydrobenzo[b][1]benzazepin-5-yl) 2-chlorobenzoate
CID 10222152
(11-carbamoyl-5,6-dihydrobenzo[b][1]benzazepin-5-yl) cyclohexanecarboxylate
CID 10155679
[(5S)-11-carbamoyl-5,6-dihydrobenzo[b][1]benzazepin-5-yl]methyl formate
CID 121244798
(11-carbamoyl-5,6-dihydrobenzo[b][1]benzazepin-5-yl) 3-methoxybenzoate
CID 10221863
5-(trifluoromethyl)-5,6-dihydrobenzo[b][1]benzazepine-11-carboxamide
CID 14306227
propan-2-yl (2S)-2-[[(11-carbamoyl-5,6-dihydrobenzo[b][1]benzazepin-5-yl)oxy-(methoxymethyl)phosphoryl]amino]propanoate
CID 130324433
2-[[(11-carbamoyl-5,6-dihydrobenzo[b][1]benzazepin-5-yl)oxy-(methoxymethyl)phosphoryl]amino]-2,3-dimethylbutanoic acid
CID 174884502
[2-[5-acetyloxy-11-(methylcarbamoyl)-5,6-dihydrobenzo[b][1]benzazepin-2-yl]-11-carbamoyl-5,6-dihydrobenzo[b][1]benzazepin-6-yl] 2-sulfanylacetate
CID 123615515
[4-(2-hydroxyethyl)piperazin-1-yl]-(5-methoxy-5,6-dihydrobenzo[b][1]benzazepin-11-yl)methanone;hydrochloride
CID 6602785
ethyl N-(11-carbamoyl-5,6-dihydrobenzo[b][1]benzazepin-2-yl)carbamate
CID 110168366
ethane;5-oxo-6H-benzo[b][1]benzazepine-11-carboxamide
CID 143893495
(3S)-1-[aminomethoxy(ethoxy)methoxy]-3-ethoxy-3,4-dihydroquinolin-2-one
CID 67792922

Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-5,6-dihydrobenzo[b][1]benzazepine-11-carboxamide?
The IUPAC name of 5-ethoxy-5,6-dihydrobenzo[b][1]benzazepine-11-carboxamide (CID 2847675) is 5-ethoxy-5,6-dihydrobenzo[b][1]benzazepine-11-carboxamide.
What is the SMILES notation for 5-ethoxy-5,6-dihydrobenzo[b][1]benzazepine-11-carboxamide?
The canonical SMILES for 5-ethoxy-5,6-dihydrobenzo[b][1]benzazepine-11-carboxamide is CCOC1Cc2ccccc2N(C(N)=O)c2ccccc21.
What is the InChIKey of 5-ethoxy-5,6-dihydrobenzo[b][1]benzazepine-11-carboxamide?
The InChIKey is HTCPWJGLIRJFIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2/c1-2-21-16-11-12-7-3-5-9-14(12)19(17(18)20)15-10-6-4-8-13(15)16/h3-10,16H,2,11H2,1H3,(H2,18,20).
What are the key properties of 5-ethoxy-5,6-dihydrobenzo[b][1]benzazepine-11-carboxamide?
5-ethoxy-5,6-dihydrobenzo[b][1]benzazepine-11-carboxamide has a molecular weight of 282.34 g/mol, XLogP of 3.54, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-5,6-dihydrobenzo[b][1]benzazepine-11-carboxamide is sourced from PubChem (CID 2847675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).