N-[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl]-N,3-dimethylbenzamide

C26H28N2O — CID 44757274

IUPACN-[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl]-N,3-dimethylbenzamide
SMILESCc1cccc(C(=O)N(C)CCCN2c3ccccc3CCc3ccccc32)c1
InChIInChI=1S/C26H28N2O/c1-20-9-7-12-23(19-20)26(29)27(2)17-8-18-28-24-13-5-3-10-21(24)15-16-22-11-4-6-14-25(22)28/h3-7,9-14,19H,8,15-18H2,1-2H3
InChIKeyLGWUNBBZZQXHKD-UHFFFAOYSA-N
MW384.52 g/mol
LogP5.39
Rot. Bonds5

About N-[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl]-N,3-dimethylbenzamide

N-[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl]-N,3-dimethylbenzamide (PubChem CID 44757274) has the molecular formula C26H28N2O and a molecular weight of 384.52 g/mol. Its IUPAC name is N-[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl]-N,3-dimethylbenzamide.

Molecular Properties

Compound NameN-[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl]-N,3-dimethylbenzamide
PubChem CID44757274
Molecular FormulaC26H28N2O
Molecular Weight384.52 g/mol
Exact Mass384.22
IUPAC NameN-[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl]-N,3-dimethylbenzamide
SMILESCc1cccc(C(=O)N(C)CCCN2c3ccccc3CCc3ccccc32)c1
InChIInChI=1S/C26H28N2O/c1-20-9-7-12-23(19-20)26(29)27(2)17-8-18-28-24-13-5-3-10-21(24)15-16-22-11-4-6-14-25(22)28/h3-7,9-14,19H,8,15-18H2,1-2H3
InChIKeyLGWUNBBZZQXHKD-UHFFFAOYSA-N
XLogP5.39
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.52
LogP ≤ 55.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(E)-but-2-enedioic acid;3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N,N-dimethylpropan-1-amine;hydrochloride
CID 67276536
3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N,N-dimethylpropan-1-amine;hydrate;hydrochloride
CID 90158861
3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N,N-dimethylpropan-1-amine;hydron;chloride
CID 657207
3-(2-methyl-5,6-dihydrobenzo[b][1]benzazepin-11-yl)propan-1-ol
CID 23287877
2-carboxyphenolate;3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N,N-dimethylpropan-1-amine
CID 86624981
1-amino-3-[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl-methylamino]propan-2-ol;oxalic acid;hydrate
CID 110169015
N-[3-(N-ethyl-3-methylanilino)propyl]-2-(2-oxo-3,4-dihydroquinolin-1-yl)acetamide
CID 22548672
(E)-4-[3-(2-chloro-5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl-methylamino]but-2-enoic acid;hydrochloride
CID 155367597
1-[[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl-methylcarbamoyl]oxymethyl]-1-methyl-4H-pyridin-1-ium-3-carboxylic acid
CID 54161499
methyl 3-[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl-methylcarbamoyl]oxy-1-methylpyridin-1-ium-2-carboxylate iodide
CID 70400777
N-[2-(2-aminoethoxy)ethyl]-N,3-dimethylbenzamide
CID 114243695
3,4-dihydro-2H-quinolin-1-yl-(3-methylphenyl)methanone
CID 669077

Frequently Asked Questions

What is the IUPAC name of N-[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl]-N,3-dimethylbenzamide?
The IUPAC name of N-[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl]-N,3-dimethylbenzamide (CID 44757274) is N-[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl]-N,3-dimethylbenzamide.
What is the SMILES notation for N-[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl]-N,3-dimethylbenzamide?
The canonical SMILES for N-[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl]-N,3-dimethylbenzamide is Cc1cccc(C(=O)N(C)CCCN2c3ccccc3CCc3ccccc32)c1.
What is the InChIKey of N-[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl]-N,3-dimethylbenzamide?
The InChIKey is LGWUNBBZZQXHKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O/c1-20-9-7-12-23(19-20)26(29)27(2)17-8-18-28-24-13-5-3-10-21(24)15-16-22-11-4-6-14-25(22)28/h3-7,9-14,19H,8,15-18H2,1-2H3.
What are the key properties of N-[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl]-N,3-dimethylbenzamide?
N-[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl]-N,3-dimethylbenzamide has a molecular weight of 384.52 g/mol, XLogP of 5.39, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl]-N,3-dimethylbenzamide is sourced from PubChem (CID 44757274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).