4-[(1S)-2-hydroxy-1-phenylethyl]-1-(3-phenylpropyl)-1,4-diazepan-5-one

C22H28N2O2 — CID 24761281

IUPAC4-[(1S)-2-hydroxy-1-phenylethyl]-1-(3-phenylpropyl)-1,4-diazepan-5-one
SMILESO=C1CCN(CCCc2ccccc2)CCN1[C@H](CO)c1ccccc1
InChIInChI=1S/C22H28N2O2/c25-18-21(20-11-5-2-6-12-20)24-17-16-23(15-13-22(24)26)14-7-10-19-8-3-1-4-9-19/h1-6,8-9,11-12,21,25H,7,10,13-18H2/t21-/m1/s1
InChIKeyNDTOZYUHEWQMLF-OAQYLSRUSA-N
MW352.48 g/mol
LogP2.89
Rot. Bonds7

About 4-[(1S)-2-hydroxy-1-phenylethyl]-1-(3-phenylpropyl)-1,4-diazepan-5-one

4-[(1S)-2-hydroxy-1-phenylethyl]-1-(3-phenylpropyl)-1,4-diazepan-5-one (PubChem CID 24761281) has the molecular formula C22H28N2O2 and a molecular weight of 352.48 g/mol. Its IUPAC name is 4-[(1S)-2-hydroxy-1-phenylethyl]-1-(3-phenylpropyl)-1,4-diazepan-5-one.

Molecular Properties

Compound Name4-[(1S)-2-hydroxy-1-phenylethyl]-1-(3-phenylpropyl)-1,4-diazepan-5-one
PubChem CID24761281
Molecular FormulaC22H28N2O2
Molecular Weight352.48 g/mol
Exact Mass352.22
IUPAC Name4-[(1S)-2-hydroxy-1-phenylethyl]-1-(3-phenylpropyl)-1,4-diazepan-5-one
SMILESO=C1CCN(CCCc2ccccc2)CCN1[C@H](CO)c1ccccc1
InChIInChI=1S/C22H28N2O2/c25-18-21(20-11-5-2-6-12-20)24-17-16-23(15-13-22(24)26)14-7-10-19-8-3-1-4-9-19/h1-6,8-9,11-12,21,25H,7,10,13-18H2/t21-/m1/s1
InChIKeyNDTOZYUHEWQMLF-OAQYLSRUSA-N
XLogP2.89
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[(1S)-2-hydroxy-1-phenylethyl]-1-(3-phenylpropyl)-1,4-diazepan-5-one 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

N1,N3-Bis[(1S)-2-hydroxy-1-phenylethyl]-2,2-dimethylpropanediamide
CID 24209868
1-heptyl-4-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-1,4-diazepan-5-one
CID 24761262
3-[[4-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-5-oxo-1,4-diazepan-1-yl]methyl]benzonitrile
CID 24761267
4-[(1S)-2-hydroxy-1-phenylethyl]-1-(2-methylpropyl)-1,4-diazepan-5-one
CID 24761275
1-[(4-bromophenyl)methyl]-4-[(1S)-2-hydroxy-1-phenylethyl]-1,4-diazepan-5-one
CID 24761277
4-[(1S)-2-hydroxy-1-phenylethyl]-1-[(4-hydroxyphenyl)methyl]-1,4-diazepan-5-one
CID 24761278
1-[(4-hydroxyphenyl)methyl]-4-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-1,4-diazepan-5-one
CID 24761303
3-[[4-[(1S)-2-hydroxy-1-phenylethyl]-5-oxo-1,4-diazepan-1-yl]methyl]benzonitrile
CID 24761322
4-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-1-(2-phenylethyl)-1,4-diazepan-5-one
CID 24793762
2-[(3S)-3,4-dibenzyl-1,4-diazepan-1-yl]-2-phenylethanol
CID 137636756
2-[(3R)-3,4-dibenzyl-1,4-diazepan-1-yl]-2-phenylethanol
CID 137642257
1-Benzyl-4-(2-hydroxyethyl)-1,4-diazepan-5-one
CID 16060240

Frequently Asked Questions

What is the IUPAC name of 4-[(1S)-2-hydroxy-1-phenylethyl]-1-(3-phenylpropyl)-1,4-diazepan-5-one?
The IUPAC name of 4-[(1S)-2-hydroxy-1-phenylethyl]-1-(3-phenylpropyl)-1,4-diazepan-5-one (CID 24761281) is 4-[(1S)-2-hydroxy-1-phenylethyl]-1-(3-phenylpropyl)-1,4-diazepan-5-one.
What is the SMILES notation for 4-[(1S)-2-hydroxy-1-phenylethyl]-1-(3-phenylpropyl)-1,4-diazepan-5-one?
The canonical SMILES for 4-[(1S)-2-hydroxy-1-phenylethyl]-1-(3-phenylpropyl)-1,4-diazepan-5-one is O=C1CCN(CCCc2ccccc2)CCN1[C@H](CO)c1ccccc1.
What is the InChIKey of 4-[(1S)-2-hydroxy-1-phenylethyl]-1-(3-phenylpropyl)-1,4-diazepan-5-one?
The InChIKey is NDTOZYUHEWQMLF-OAQYLSRUSA-N. The full InChI is InChI=1S/C22H28N2O2/c25-18-21(20-11-5-2-6-12-20)24-17-16-23(15-13-22(24)26)14-7-10-19-8-3-1-4-9-19/h1-6,8-9,11-12,21,25H,7,10,13-18H2/t21-/m1/s1.
What are the key properties of 4-[(1S)-2-hydroxy-1-phenylethyl]-1-(3-phenylpropyl)-1,4-diazepan-5-one?
4-[(1S)-2-hydroxy-1-phenylethyl]-1-(3-phenylpropyl)-1,4-diazepan-5-one has a molecular weight of 352.48 g/mol, XLogP of 2.89, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1S)-2-hydroxy-1-phenylethyl]-1-(3-phenylpropyl)-1,4-diazepan-5-one is sourced from PubChem (CID 24761281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).