N-benzyl-2-(6-oxo-5,7-dihydrobenzo[d][1]benzazepin-7-yl)acetamide

C23H20N2O2 — CID 177414961

IUPACN-benzyl-2-(6-oxo-5,7-dihydrobenzo[d][1]benzazepin-7-yl)acetamide
SMILESO=C(CC1C(=O)Nc2ccccc2-c2ccccc21)NCc1ccccc1
InChIInChI=1S/C23H20N2O2/c26-22(24-15-16-8-2-1-3-9-16)14-20-18-11-5-4-10-17(18)19-12-6-7-13-21(19)25-23(20)27/h1-13,20H,14-15H2,(H,24,26)(H,25,27)
InChIKeyMAOIDQBIKPCYTD-UHFFFAOYSA-N
MW356.43 g/mol
LogP4.10
Rot. Bonds4

About N-benzyl-2-(6-oxo-5,7-dihydrobenzo[d][1]benzazepin-7-yl)acetamide

N-benzyl-2-(6-oxo-5,7-dihydrobenzo[d][1]benzazepin-7-yl)acetamide (PubChem CID 177414961) has the molecular formula C23H20N2O2 and a molecular weight of 356.43 g/mol. Its IUPAC name is N-benzyl-2-(6-oxo-5,7-dihydrobenzo[d][1]benzazepin-7-yl)acetamide.

Molecular Properties

Compound NameN-benzyl-2-(6-oxo-5,7-dihydrobenzo[d][1]benzazepin-7-yl)acetamide
PubChem CID177414961
Molecular FormulaC23H20N2O2
Molecular Weight356.43 g/mol
Exact Mass356.15
IUPAC NameN-benzyl-2-(6-oxo-5,7-dihydrobenzo[d][1]benzazepin-7-yl)acetamide
SMILESO=C(CC1C(=O)Nc2ccccc2-c2ccccc21)NCc1ccccc1
InChIInChI=1S/C23H20N2O2/c26-22(24-15-16-8-2-1-3-9-16)14-20-18-11-5-4-10-17(18)19-12-6-7-13-21(19)25-23(20)27/h1-13,20H,14-15H2,(H,24,26)(H,25,27)
InChIKeyMAOIDQBIKPCYTD-UHFFFAOYSA-N
XLogP4.10
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 51829877
N-benzyl-2-[(2R)-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl]acetamide
CID 795021
N-benzyl-2-[(1S)-3-oxo-1,2-dihydroisoindol-1-yl]acetamide
CID 7678919
N-(2-naphthalen-1-ylethyl)-2-[(3R)-2-oxo-1,3-dihydroindol-3-yl]acetamide
CID 52536360
N-(2-acetamidoethyl)-2-(2-oxo-1,3-dihydroindol-3-yl)acetamide
CID 110694642
N-[(4-chlorophenyl)methyl]-2-[(3R)-2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl]acetamide
CID 51842358
N-benzyl-2-[(5S)-2,4-dioxo-1,3-thiazolidin-5-yl]acetamide
CID 1352347
N-(2-hydroxy-2-thiophen-3-ylethyl)-2-(2-oxo-1,3-dihydroindol-3-yl)acetamide
CID 111441433
N-[2-(4-methylpiperazin-1-yl)ethyl]-2-(2-oxo-1,3-dihydroindol-3-yl)acetamide
CID 134813181
N-[2-(2-hydroxyethyl)-4-methylpentyl]-2-(2-oxo-1,3-dihydroindol-3-yl)acetamide
CID 111697545
2-[[2-(2-oxo-1,3-dihydroindol-3-yl)acetyl]amino]pentanedioic acid
CID 85274004

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(6-oxo-5,7-dihydrobenzo[d][1]benzazepin-7-yl)acetamide?
The IUPAC name of N-benzyl-2-(6-oxo-5,7-dihydrobenzo[d][1]benzazepin-7-yl)acetamide (CID 177414961) is N-benzyl-2-(6-oxo-5,7-dihydrobenzo[d][1]benzazepin-7-yl)acetamide.
What is the SMILES notation for N-benzyl-2-(6-oxo-5,7-dihydrobenzo[d][1]benzazepin-7-yl)acetamide?
The canonical SMILES for N-benzyl-2-(6-oxo-5,7-dihydrobenzo[d][1]benzazepin-7-yl)acetamide is O=C(CC1C(=O)Nc2ccccc2-c2ccccc21)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-(6-oxo-5,7-dihydrobenzo[d][1]benzazepin-7-yl)acetamide?
The InChIKey is MAOIDQBIKPCYTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O2/c26-22(24-15-16-8-2-1-3-9-16)14-20-18-11-5-4-10-17(18)19-12-6-7-13-21(19)25-23(20)27/h1-13,20H,14-15H2,(H,24,26)(H,25,27).
What are the key properties of N-benzyl-2-(6-oxo-5,7-dihydrobenzo[d][1]benzazepin-7-yl)acetamide?
N-benzyl-2-(6-oxo-5,7-dihydrobenzo[d][1]benzazepin-7-yl)acetamide has a molecular weight of 356.43 g/mol, XLogP of 4.10, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(6-oxo-5,7-dihydrobenzo[d][1]benzazepin-7-yl)acetamide is sourced from PubChem (CID 177414961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).