1-[11-[3-(dimethylamino)propyl]-6,11-dihydrobenzo[c][1]benzazepin-5-yl]ethanone

C21H26N2O — CID 3052831

IUPAC1-[11-[3-(dimethylamino)propyl]-6,11-dihydrobenzo[c][1]benzazepin-5-yl]ethanone
SMILESCC(=O)N1Cc2ccccc2C(CCCN(C)C)c2ccccc21
InChIInChI=1S/C21H26N2O/c1-16(24)23-15-17-9-4-5-10-18(17)19(12-8-14-22(2)3)20-11-6-7-13-21(20)23/h4-7,9-11,13,19H,8,12,14-15H2,1-3H3
InChIKeyVTOZKROQOGQWFN-UHFFFAOYSA-N
MW322.45 g/mol
LogP4.03
Rot. Bonds4

About 1-[11-[3-(dimethylamino)propyl]-6,11-dihydrobenzo[c][1]benzazepin-5-yl]ethanone

1-[11-[3-(dimethylamino)propyl]-6,11-dihydrobenzo[c][1]benzazepin-5-yl]ethanone (PubChem CID 3052831) has the molecular formula C21H26N2O and a molecular weight of 322.45 g/mol. Its IUPAC name is 1-[11-[3-(dimethylamino)propyl]-6,11-dihydrobenzo[c][1]benzazepin-5-yl]ethanone.

Molecular Properties

Compound Name1-[11-[3-(dimethylamino)propyl]-6,11-dihydrobenzo[c][1]benzazepin-5-yl]ethanone
PubChem CID3052831
Molecular FormulaC21H26N2O
Molecular Weight322.45 g/mol
Exact Mass322.20
IUPAC Name1-[11-[3-(dimethylamino)propyl]-6,11-dihydrobenzo[c][1]benzazepin-5-yl]ethanone
SMILESCC(=O)N1Cc2ccccc2C(CCCN(C)C)c2ccccc21
InChIInChI=1S/C21H26N2O/c1-16(24)23-15-17-9-4-5-10-18(17)19(12-8-14-22(2)3)20-11-6-7-13-21(20)23/h4-7,9-11,13,19H,8,12,14-15H2,1-3H3
InChIKeyVTOZKROQOGQWFN-UHFFFAOYSA-N
XLogP4.03
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[11-[3-(dimethylamino)propyl]-6,11-dihydrobenzo[c][1]benzazepin-5-yl]ethanone?
The IUPAC name of 1-[11-[3-(dimethylamino)propyl]-6,11-dihydrobenzo[c][1]benzazepin-5-yl]ethanone (CID 3052831) is 1-[11-[3-(dimethylamino)propyl]-6,11-dihydrobenzo[c][1]benzazepin-5-yl]ethanone.
What is the SMILES notation for 1-[11-[3-(dimethylamino)propyl]-6,11-dihydrobenzo[c][1]benzazepin-5-yl]ethanone?
The canonical SMILES for 1-[11-[3-(dimethylamino)propyl]-6,11-dihydrobenzo[c][1]benzazepin-5-yl]ethanone is CC(=O)N1Cc2ccccc2C(CCCN(C)C)c2ccccc21.
What is the InChIKey of 1-[11-[3-(dimethylamino)propyl]-6,11-dihydrobenzo[c][1]benzazepin-5-yl]ethanone?
The InChIKey is VTOZKROQOGQWFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O/c1-16(24)23-15-17-9-4-5-10-18(17)19(12-8-14-22(2)3)20-11-6-7-13-21(20)23/h4-7,9-11,13,19H,8,12,14-15H2,1-3H3.
What are the key properties of 1-[11-[3-(dimethylamino)propyl]-6,11-dihydrobenzo[c][1]benzazepin-5-yl]ethanone?
1-[11-[3-(dimethylamino)propyl]-6,11-dihydrobenzo[c][1]benzazepin-5-yl]ethanone has a molecular weight of 322.45 g/mol, XLogP of 4.03, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[11-[3-(dimethylamino)propyl]-6,11-dihydrobenzo[c][1]benzazepin-5-yl]ethanone is sourced from PubChem (CID 3052831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).