N-(6,11-dihydro-5H-benzo[b][1]benzazepin-2-yl)-3,4,5-trimethoxybenzamide

C24H24N2O4 — CID 1377912

IUPACN-(6,11-dihydro-5H-benzo[b][1]benzazepin-2-yl)-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(=O)Nc2ccc3c(c2)Nc2ccccc2CC3)cc(OC)c1OC
InChIInChI=1S/C24H24N2O4/c1-28-21-12-17(13-22(29-2)23(21)30-3)24(27)25-18-11-10-16-9-8-15-6-4-5-7-19(15)26-20(16)14-18/h4-7,10-14,26H,8-9H2,1-3H3,(H,25,27)
InChIKeyGFMPJDRSKOVISV-UHFFFAOYSA-N
MW404.47 g/mol
LogP4.81
Rot. Bonds5

About N-(6,11-dihydro-5H-benzo[b][1]benzazepin-2-yl)-3,4,5-trimethoxybenzamide

N-(6,11-dihydro-5H-benzo[b][1]benzazepin-2-yl)-3,4,5-trimethoxybenzamide (PubChem CID 1377912) has the molecular formula C24H24N2O4 and a molecular weight of 404.47 g/mol. Its IUPAC name is N-(6,11-dihydro-5H-benzo[b][1]benzazepin-2-yl)-3,4,5-trimethoxybenzamide.

Molecular Properties

Compound NameN-(6,11-dihydro-5H-benzo[b][1]benzazepin-2-yl)-3,4,5-trimethoxybenzamide
PubChem CID1377912
Molecular FormulaC24H24N2O4
Molecular Weight404.47 g/mol
Exact Mass404.17
IUPAC NameN-(6,11-dihydro-5H-benzo[b][1]benzazepin-2-yl)-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(=O)Nc2ccc3c(c2)Nc2ccccc2CC3)cc(OC)c1OC
InChIInChI=1S/C24H24N2O4/c1-28-21-12-17(13-22(29-2)23(21)30-3)24(27)25-18-11-10-16-9-8-15-6-4-5-7-19(15)26-20(16)14-18/h4-7,10-14,26H,8-9H2,1-3H3,(H,25,27)
InChIKeyGFMPJDRSKOVISV-UHFFFAOYSA-N
XLogP4.81
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

propan-2-yl N-(6,11-dihydro-5H-benzo[b][1]benzazepin-2-yl)carbamate
CID 781231
3,4,5-trimethoxy-N-[3-[(3,4,5-trimethoxybenzoyl)amino]phenyl]benzamide
CID 4578304
N-(6,11-dihydro-5H-benzo[b][1]benzazepin-2-yl)-1-(2,5-dimethoxyphenyl)-5-methyltriazole-4-carboxamide
CID 169248299
3,4,5-trimethoxy-N-(1-methyl-2,3-dihydroindol-6-yl)benzamide
CID 110729223
N-(4-benzamido-3-bromophenyl)-3,4,5-trimethoxybenzamide
CID 3117342
N-(1,3-dioxoisoindol-5-yl)-3,4,5-trimethoxybenzamide
CID 2230182
3,4,5-trimethoxy-N-[11-[2-(4-methylpiperazin-1-yl)acetyl]-5,6-dihydrobenzo[b][1]benzazepin-2-yl]benzamide;dihydrochloride
CID 44660576
3,4,5-trimethoxy-N-(4-phenyldiazenylphenyl)benzamide
CID 3504342
N-[3-[(4-tert-butylbenzoyl)amino]phenyl]-3,4,5-trimethoxybenzamide
CID 5167403
N-(4-chlorophenyl)-3,4,5-trimethoxybenzamide
CID 692739
3,4-dimethoxy-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)benzamide
CID 18571300
butyl N-(6,11-dihydro-5H-benzo[b][1]benzazepin-2-yl)carbamate
CID 130317864

Frequently Asked Questions

What is the IUPAC name of N-(6,11-dihydro-5H-benzo[b][1]benzazepin-2-yl)-3,4,5-trimethoxybenzamide?
The IUPAC name of N-(6,11-dihydro-5H-benzo[b][1]benzazepin-2-yl)-3,4,5-trimethoxybenzamide (CID 1377912) is N-(6,11-dihydro-5H-benzo[b][1]benzazepin-2-yl)-3,4,5-trimethoxybenzamide.
What is the SMILES notation for N-(6,11-dihydro-5H-benzo[b][1]benzazepin-2-yl)-3,4,5-trimethoxybenzamide?
The canonical SMILES for N-(6,11-dihydro-5H-benzo[b][1]benzazepin-2-yl)-3,4,5-trimethoxybenzamide is COc1cc(C(=O)Nc2ccc3c(c2)Nc2ccccc2CC3)cc(OC)c1OC.
What is the InChIKey of N-(6,11-dihydro-5H-benzo[b][1]benzazepin-2-yl)-3,4,5-trimethoxybenzamide?
The InChIKey is GFMPJDRSKOVISV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O4/c1-28-21-12-17(13-22(29-2)23(21)30-3)24(27)25-18-11-10-16-9-8-15-6-4-5-7-19(15)26-20(16)14-18/h4-7,10-14,26H,8-9H2,1-3H3,(H,25,27).
What are the key properties of N-(6,11-dihydro-5H-benzo[b][1]benzazepin-2-yl)-3,4,5-trimethoxybenzamide?
N-(6,11-dihydro-5H-benzo[b][1]benzazepin-2-yl)-3,4,5-trimethoxybenzamide has a molecular weight of 404.47 g/mol, XLogP of 4.81, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6,11-dihydro-5H-benzo[b][1]benzazepin-2-yl)-3,4,5-trimethoxybenzamide is sourced from PubChem (CID 1377912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).