N-[(1R)-1-(4-methoxyphenyl)-3-oxo-3-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)propyl]acetamide

C22H26N2O3 — CID 51956415

IUPACN-[(1R)-1-(4-methoxyphenyl)-3-oxo-3-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)propyl]acetamide
SMILESCOc1ccc([C@@H](CC(=O)N2CCCCc3ccccc32)NC(C)=O)cc1
InChIInChI=1S/C22H26N2O3/c1-16(25)23-20(17-10-12-19(27-2)13-11-17)15-22(26)24-14-6-5-8-18-7-3-4-9-21(18)24/h3-4,7,9-13,20H,5-6,8,14-15H2,1-2H3,(H,23,25)/t20-/m1/s1
InChIKeyQONLOFVEYKUEEV-HXUWFJFHSA-N
MW366.46 g/mol
LogP3.63
Rot. Bonds5

About N-[(1R)-1-(4-methoxyphenyl)-3-oxo-3-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)propyl]acetamide

N-[(1R)-1-(4-methoxyphenyl)-3-oxo-3-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)propyl]acetamide (PubChem CID 51956415) has the molecular formula C22H26N2O3 and a molecular weight of 366.46 g/mol. Its IUPAC name is N-[(1R)-1-(4-methoxyphenyl)-3-oxo-3-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)propyl]acetamide.

Molecular Properties

Compound NameN-[(1R)-1-(4-methoxyphenyl)-3-oxo-3-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)propyl]acetamide
PubChem CID51956415
Molecular FormulaC22H26N2O3
Molecular Weight366.46 g/mol
Exact Mass366.19
IUPAC NameN-[(1R)-1-(4-methoxyphenyl)-3-oxo-3-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)propyl]acetamide
SMILESCOc1ccc([C@@H](CC(=O)N2CCCCc3ccccc32)NC(C)=O)cc1
InChIInChI=1S/C22H26N2O3/c1-16(25)23-20(17-10-12-19(27-2)13-11-17)15-22(26)24-14-6-5-8-18-7-3-4-9-21(18)24/h3-4,7,9-13,20H,5-6,8,14-15H2,1-2H3,(H,23,25)/t20-/m1/s1
InChIKeyQONLOFVEYKUEEV-HXUWFJFHSA-N
XLogP3.63
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(1R)-1-(4-methoxyphenyl)-3-oxo-3-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)propyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-(3,4-dihydro-2H-quinolin-1-yl)-1-(4-methylphenyl)-3-oxopropyl]acetamide
CID 46817528
N-[3-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-1-(4-methoxyphenyl)-3-oxopropyl]acetamide
CID 86929724
[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] (3R)-3-acetamido-3-phenylpropanoate
CID 7132912
(3S)-3-acetamido-N-[2-(2,3-dihydroindol-1-yl)phenyl]-3-(4-methoxyphenyl)propanamide
CID 51725796
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(4-methoxyphenyl)ethanone
CID 669074
N-[(1S)-1-(4-chlorophenyl)-3-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]acetamide
CID 52505588
N-[1-(4-chlorophenyl)-3-(7-fluoro-3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]acetamide
CID 55971151
N-[1-(4-methoxyphenyl)-3-[4-(4-methoxyphenyl)-1,4-diazepan-1-yl]-3-oxopropyl]acetamide
CID 55919317
3-acetamido-3-(4-methoxyphenyl)-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]propanamide
CID 56518375
2-(3,4-dihydro-2H-quinolin-1-yl)-N-[(4-methoxyphenyl)methyl]-2-oxoacetamide
CID 108505550
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(2,5-dimethoxyanilino)ethanone
CID 54813893
1-[3-acetamido-3-(4-methoxyphenyl)propanoyl]-N-(2-hydroxyphenyl)piperidine-4-carboxamide
CID 42920354

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(4-methoxyphenyl)-3-oxo-3-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)propyl]acetamide?
The IUPAC name of N-[(1R)-1-(4-methoxyphenyl)-3-oxo-3-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)propyl]acetamide (CID 51956415) is N-[(1R)-1-(4-methoxyphenyl)-3-oxo-3-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)propyl]acetamide.
What is the SMILES notation for N-[(1R)-1-(4-methoxyphenyl)-3-oxo-3-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)propyl]acetamide?
The canonical SMILES for N-[(1R)-1-(4-methoxyphenyl)-3-oxo-3-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)propyl]acetamide is COc1ccc([C@@H](CC(=O)N2CCCCc3ccccc32)NC(C)=O)cc1.
What is the InChIKey of N-[(1R)-1-(4-methoxyphenyl)-3-oxo-3-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)propyl]acetamide?
The InChIKey is QONLOFVEYKUEEV-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H26N2O3/c1-16(25)23-20(17-10-12-19(27-2)13-11-17)15-22(26)24-14-6-5-8-18-7-3-4-9-21(18)24/h3-4,7,9-13,20H,5-6,8,14-15H2,1-2H3,(H,23,25)/t20-/m1/s1.
What are the key properties of N-[(1R)-1-(4-methoxyphenyl)-3-oxo-3-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)propyl]acetamide?
N-[(1R)-1-(4-methoxyphenyl)-3-oxo-3-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)propyl]acetamide has a molecular weight of 366.46 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(4-methoxyphenyl)-3-oxo-3-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)propyl]acetamide is sourced from PubChem (CID 51956415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).