2-[3-(diethylamino)propylamino]-N-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)acetamide

C23H32N4O — CID 139715103

IUPAC2-[3-(diethylamino)propylamino]-N-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)acetamide
SMILESCCN(CC)CCCNCC(=O)NN1c2ccccc2CCc2ccccc21
InChIInChI=1S/C23H32N4O/c1-3-26(4-2)17-9-16-24-18-23(28)25-27-21-12-7-5-10-19(21)14-15-20-11-6-8-13-22(20)27/h5-8,10-13,24H,3-4,9,14-18H2,1-2H3,(H,25,28)
InChIKeyYNOUOYYRIWOIBO-UHFFFAOYSA-N
MW380.54 g/mol
LogP3.28
Rot. Bonds9

About 2-[3-(diethylamino)propylamino]-N-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)acetamide

2-[3-(diethylamino)propylamino]-N-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)acetamide (PubChem CID 139715103) has the molecular formula C23H32N4O and a molecular weight of 380.54 g/mol. Its IUPAC name is 2-[3-(diethylamino)propylamino]-N-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)acetamide.

Molecular Properties

Compound Name2-[3-(diethylamino)propylamino]-N-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)acetamide
PubChem CID139715103
Molecular FormulaC23H32N4O
Molecular Weight380.54 g/mol
Exact Mass380.26
IUPAC Name2-[3-(diethylamino)propylamino]-N-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)acetamide
SMILESCCN(CC)CCCNCC(=O)NN1c2ccccc2CCc2ccccc21
InChIInChI=1S/C23H32N4O/c1-3-26(4-2)17-9-16-24-18-23(28)25-27-21-12-7-5-10-19(21)14-15-20-11-6-8-13-22(20)27/h5-8,10-13,24H,3-4,9,14-18H2,1-2H3,(H,25,28)
InChIKeyYNOUOYYRIWOIBO-UHFFFAOYSA-N
XLogP3.28
TPSA47.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.54
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-phenylacetamide
CID 3694017
2-[4-(diethylamino)butylamino]-1-phenylethanone
CID 82101197
N-tert-butyl-2-[3-(diethylamino)propylamino]acetamide
CID 28581448
N',N'-diethyl-N-(2-phenylprop-2-enyl)propane-1,3-diamine
CID 113288084
N-[3-(diethylamino)propyl]-2,3-dihydro-1H-indene-2-carboxamide
CID 112520153
2-[3-(diethylamino)propylamino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide;oxalic acid
CID 175652974
N-[5-(diethylamino)pentan-2-yl]-3-(3,4-dihydro-2H-quinolin-1-yl)propanamide
CID 59237981
1-(3-aminophenyl)-2-[3-(diethylamino)propylamino]ethanone
CID 82258278
1-N,4-N-bis[3-(diethylamino)propyl]benzene-1,4-dicarboxamide
CID 2842708
3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N-ethylpropan-1-amine
CID 91474056
2-[3-[benzyl(methyl)amino]propylamino]-N-ethylacetamide
CID 28577544
2-(diethylamino)-1-(2,3-dihydroindol-1-yl)ethanone
CID 3028969

Frequently Asked Questions

What is the IUPAC name of 2-[3-(diethylamino)propylamino]-N-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)acetamide?
The IUPAC name of 2-[3-(diethylamino)propylamino]-N-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)acetamide (CID 139715103) is 2-[3-(diethylamino)propylamino]-N-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)acetamide.
What is the SMILES notation for 2-[3-(diethylamino)propylamino]-N-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)acetamide?
The canonical SMILES for 2-[3-(diethylamino)propylamino]-N-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)acetamide is CCN(CC)CCCNCC(=O)NN1c2ccccc2CCc2ccccc21.
What is the InChIKey of 2-[3-(diethylamino)propylamino]-N-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)acetamide?
The InChIKey is YNOUOYYRIWOIBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N4O/c1-3-26(4-2)17-9-16-24-18-23(28)25-27-21-12-7-5-10-19(21)14-15-20-11-6-8-13-22(20)27/h5-8,10-13,24H,3-4,9,14-18H2,1-2H3,(H,25,28).
What are the key properties of 2-[3-(diethylamino)propylamino]-N-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)acetamide?
2-[3-(diethylamino)propylamino]-N-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)acetamide has a molecular weight of 380.54 g/mol, XLogP of 3.28, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(diethylamino)propylamino]-N-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)acetamide is sourced from PubChem (CID 139715103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).