N-(6,11-dihydro-5H-benzo[b][1]benzazepin-2-yl)-2-propylpentanamide

C22H28N2O — CID 2839733

IUPACN-(6,11-dihydro-5H-benzo[b][1]benzazepin-2-yl)-2-propylpentanamide
SMILESCCCC(CCC)C(=O)Nc1ccc2c(c1)Nc1ccccc1CC2
InChIInChI=1S/C22H28N2O/c1-3-7-18(8-4-2)22(25)23-19-14-13-17-12-11-16-9-5-6-10-20(16)24-21(17)15-19/h5-6,9-10,13-15,18,24H,3-4,7-8,11-12H2,1-2H3,(H,23,25)
InChIKeyMRXAFSNZMPMADA-UHFFFAOYSA-N
MW336.48 g/mol
LogP5.68
Rot. Bonds6

About N-(6,11-dihydro-5H-benzo[b][1]benzazepin-2-yl)-2-propylpentanamide

N-(6,11-dihydro-5H-benzo[b][1]benzazepin-2-yl)-2-propylpentanamide (PubChem CID 2839733) has the molecular formula C22H28N2O and a molecular weight of 336.48 g/mol. Its IUPAC name is N-(6,11-dihydro-5H-benzo[b][1]benzazepin-2-yl)-2-propylpentanamide.

Molecular Properties

Compound NameN-(6,11-dihydro-5H-benzo[b][1]benzazepin-2-yl)-2-propylpentanamide
PubChem CID2839733
Molecular FormulaC22H28N2O
Molecular Weight336.48 g/mol
Exact Mass336.22
IUPAC NameN-(6,11-dihydro-5H-benzo[b][1]benzazepin-2-yl)-2-propylpentanamide
SMILESCCCC(CCC)C(=O)Nc1ccc2c(c1)Nc1ccccc1CC2
InChIInChI=1S/C22H28N2O/c1-3-7-18(8-4-2)22(25)23-19-14-13-17-12-11-16-9-5-6-10-20(16)24-21(17)15-19/h5-6,9-10,13-15,18,24H,3-4,7-8,11-12H2,1-2H3,(H,23,25)
InChIKeyMRXAFSNZMPMADA-UHFFFAOYSA-N
XLogP5.68
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.48
LogP ≤ 55.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

butyl N-(6,11-dihydro-5H-benzo[b][1]benzazepin-2-yl)carbamate
CID 130317864
propan-2-yl N-(6,11-dihydro-5H-benzo[b][1]benzazepin-2-yl)carbamate
CID 781231
2-amino-N-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)pentanamide;hydrochloride
CID 119326451
1-(6,11-dihydro-5H-benzo[b][1]benzazepin-2-ylamino)propan-2-one
CID 154158729
N-(1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)-2-propylpentanamide
CID 90524726
N-[11-[3-(4-methylpiperazin-1-yl)propanoyl]-5,6-dihydrobenzo[b][1]benzazepin-2-yl]-2-propylpentanamide;dihydrochloride
CID 2887985
N-(6,11-dihydro-5H-benzo[b][1]benzazepin-2-yl)-3,4,5-trimethoxybenzamide
CID 1377912
N-(6,11-dihydro-5H-benzo[b][1]benzazepin-2-yl)-3-oxo-2-propan-2-ylpiperazine-1-carboxamide
CID 118789970
N-[3-(2,2-dimethylpropanoylamino)phenyl]-2-propylpentanamide
CID 17296409
2-amino-N-(9H-fluoren-2-yl)pentanamide
CID 43650050
6,11-dihydro-5H-benzo[b][1]benzazepine-2-carboxamide
CID 91028665
(2R)-2-(2-chlorophenyl)-2-hydroxy-N-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)acetamide
CID 84595322

Frequently Asked Questions

What is the IUPAC name of N-(6,11-dihydro-5H-benzo[b][1]benzazepin-2-yl)-2-propylpentanamide?
The IUPAC name of N-(6,11-dihydro-5H-benzo[b][1]benzazepin-2-yl)-2-propylpentanamide (CID 2839733) is N-(6,11-dihydro-5H-benzo[b][1]benzazepin-2-yl)-2-propylpentanamide.
What is the SMILES notation for N-(6,11-dihydro-5H-benzo[b][1]benzazepin-2-yl)-2-propylpentanamide?
The canonical SMILES for N-(6,11-dihydro-5H-benzo[b][1]benzazepin-2-yl)-2-propylpentanamide is CCCC(CCC)C(=O)Nc1ccc2c(c1)Nc1ccccc1CC2.
What is the InChIKey of N-(6,11-dihydro-5H-benzo[b][1]benzazepin-2-yl)-2-propylpentanamide?
The InChIKey is MRXAFSNZMPMADA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O/c1-3-7-18(8-4-2)22(25)23-19-14-13-17-12-11-16-9-5-6-10-20(16)24-21(17)15-19/h5-6,9-10,13-15,18,24H,3-4,7-8,11-12H2,1-2H3,(H,23,25).
What are the key properties of N-(6,11-dihydro-5H-benzo[b][1]benzazepin-2-yl)-2-propylpentanamide?
N-(6,11-dihydro-5H-benzo[b][1]benzazepin-2-yl)-2-propylpentanamide has a molecular weight of 336.48 g/mol, XLogP of 5.68, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6,11-dihydro-5H-benzo[b][1]benzazepin-2-yl)-2-propylpentanamide is sourced from PubChem (CID 2839733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).