2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-N-(2-phenylphenyl)propanamide

C24H24N2O2 — CID 55845746

IUPAC2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-N-(2-phenylphenyl)propanamide
SMILESCC(C(=O)Nc1ccccc1-c1ccccc1)N1CCOc2ccccc2C1
InChIInChI=1S/C24H24N2O2/c1-18(26-15-16-28-23-14-8-5-11-20(23)17-26)24(27)25-22-13-7-6-12-21(22)19-9-3-2-4-10-19/h2-14,18H,15-17H2,1H3,(H,25,27)
InChIKeyRGADDCDYRHEWGF-UHFFFAOYSA-N
MW372.47 g/mol
LogP4.58
Rot. Bonds4

About 2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-N-(2-phenylphenyl)propanamide

2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-N-(2-phenylphenyl)propanamide (PubChem CID 55845746) has the molecular formula C24H24N2O2 and a molecular weight of 372.47 g/mol. Its IUPAC name is 2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-N-(2-phenylphenyl)propanamide.

Molecular Properties

Compound Name2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-N-(2-phenylphenyl)propanamide
PubChem CID55845746
Molecular FormulaC24H24N2O2
Molecular Weight372.47 g/mol
Exact Mass372.18
IUPAC Name2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-N-(2-phenylphenyl)propanamide
SMILESCC(C(=O)Nc1ccccc1-c1ccccc1)N1CCOc2ccccc2C1
InChIInChI=1S/C24H24N2O2/c1-18(26-15-16-28-23-14-8-5-11-20(23)17-26)24(27)25-22-13-7-6-12-21(22)19-9-3-2-4-10-19/h2-14,18H,15-17H2,1H3,(H,25,27)
InChIKeyRGADDCDYRHEWGF-UHFFFAOYSA-N
XLogP4.58
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-morpholin-4-yl-N-(2-phenylphenyl)propanamide
CID 1429478
2-(4-acetylpiperazin-1-yl)-N-(2-phenylphenyl)propanamide
CID 18078428
oxalic acid;N-(2-phenylphenyl)-2-pyrrolidin-1-ylpropanamide
CID 171668760
N-(2-phenylphenyl)-2-(1,4-thiazepan-4-yl)propanamide
CID 42962435
4-propan-2-yl-3,5-dihydro-2H-1,4-benzoxazepine
CID 59897847
2-[4-(4-chlorobenzoyl)piperazin-1-yl]-N-(2-phenylphenyl)propanamide
CID 46551877
N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)propanamide
CID 55845623
(3S,4S)-4-methyl-1-[1-oxo-1-(2-phenylanilino)propan-2-yl]pyrrolidine-3-carboxylic acid
CID 122120956
N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)propanamide
CID 55845498
2-(1,3-dioxoisoindol-2-yl)-N-(2-phenylphenyl)propanamide
CID 16546107
1-(4-benzylpiperazin-1-yl)-2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)propan-1-one
CID 55829561
(2R)-2-(4-benzylsulfonylpiperazin-1-yl)-N-(2-phenylphenyl)propanamide
CID 25372783

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-N-(2-phenylphenyl)propanamide?
The IUPAC name of 2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-N-(2-phenylphenyl)propanamide (CID 55845746) is 2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-N-(2-phenylphenyl)propanamide.
What is the SMILES notation for 2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-N-(2-phenylphenyl)propanamide?
The canonical SMILES for 2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-N-(2-phenylphenyl)propanamide is CC(C(=O)Nc1ccccc1-c1ccccc1)N1CCOc2ccccc2C1.
What is the InChIKey of 2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-N-(2-phenylphenyl)propanamide?
The InChIKey is RGADDCDYRHEWGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O2/c1-18(26-15-16-28-23-14-8-5-11-20(23)17-26)24(27)25-22-13-7-6-12-21(22)19-9-3-2-4-10-19/h2-14,18H,15-17H2,1H3,(H,25,27).
What are the key properties of 2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-N-(2-phenylphenyl)propanamide?
2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-N-(2-phenylphenyl)propanamide has a molecular weight of 372.47 g/mol, XLogP of 4.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-N-(2-phenylphenyl)propanamide is sourced from PubChem (CID 55845746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).