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

C22H28N2O2 — CID 24793762

IUPAC4-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-1-(2-phenylethyl)-1,4-diazepan-5-one
SMILESO=C1CCN(CCc2ccccc2)CCN1[C@H](CO)Cc1ccccc1
InChIInChI=1S/C22H28N2O2/c25-18-21(17-20-9-5-2-6-10-20)24-16-15-23(14-12-22(24)26)13-11-19-7-3-1-4-8-19/h1-10,21,25H,11-18H2/t21-/m0/s1
InChIKeyMASUPROKDHQNMS-NRFANRHFSA-N
MW352.48 g/mol
LogP2.37
Rot. Bonds7

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

4-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-1-(2-phenylethyl)-1,4-diazepan-5-one (PubChem CID 24793762) has the molecular formula C22H28N2O2 and a molecular weight of 352.48 g/mol. Its IUPAC name is 4-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-1-(2-phenylethyl)-1,4-diazepan-5-one.

Molecular Properties

Compound Name4-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-1-(2-phenylethyl)-1,4-diazepan-5-one
PubChem CID24793762
Molecular FormulaC22H28N2O2
Molecular Weight352.48 g/mol
Exact Mass352.22
IUPAC Name4-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-1-(2-phenylethyl)-1,4-diazepan-5-one
SMILESO=C1CCN(CCc2ccccc2)CCN1[C@H](CO)Cc1ccccc1
InChIInChI=1S/C22H28N2O2/c25-18-21(17-20-9-5-2-6-10-20)24-16-15-23(14-12-22(24)26)13-11-19-7-3-1-4-8-19/h1-10,21,25H,11-18H2/t21-/m0/s1
InChIKeyMASUPROKDHQNMS-NRFANRHFSA-N
XLogP2.37
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 ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-1-(2-phenylethyl)-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

Piperazine derivative, 13
CID 71463399
4-(1-Hydroxy-3-phenylpropan-2-yl)-1-(4-methylphenyl)sulfonyl-1,4-diazepan-5-one
CID 6096756
4-(2-Hydroxyethyl)-1-(3-phenylpropyl)-1,4-diazepan-5-one
CID 24761257
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-(3-phenylpropyl)-1,4-diazepan-5-one
CID 24761281
3-[[4-[(1S)-2-hydroxy-1-phenylethyl]-5-oxo-1,4-diazepan-1-yl]methyl]benzonitrile
CID 24761322
1-Benzyl-4-(2-hydroxyethyl)-1,4-diazepan-5-one
CID 16060240
4-[(1S)-2-hydroxy-1-phenylethyl]-1-propyl-1,4-diazepan-5-one
CID 24761236
1-benzyl-4-[(2S)-1-hydroxy-4-methylpentan-2-yl]-1,4-diazepan-5-one
CID 24761256

Frequently Asked Questions

What is the IUPAC name of 4-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-1-(2-phenylethyl)-1,4-diazepan-5-one?
The IUPAC name of 4-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-1-(2-phenylethyl)-1,4-diazepan-5-one (CID 24793762) is 4-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-1-(2-phenylethyl)-1,4-diazepan-5-one.
What is the SMILES notation for 4-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-1-(2-phenylethyl)-1,4-diazepan-5-one?
The canonical SMILES for 4-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-1-(2-phenylethyl)-1,4-diazepan-5-one is O=C1CCN(CCc2ccccc2)CCN1[C@H](CO)Cc1ccccc1.
What is the InChIKey of 4-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-1-(2-phenylethyl)-1,4-diazepan-5-one?
The InChIKey is MASUPROKDHQNMS-NRFANRHFSA-N. The full InChI is InChI=1S/C22H28N2O2/c25-18-21(17-20-9-5-2-6-10-20)24-16-15-23(14-12-22(24)26)13-11-19-7-3-1-4-8-19/h1-10,21,25H,11-18H2/t21-/m0/s1.
What are the key properties of 4-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-1-(2-phenylethyl)-1,4-diazepan-5-one?
4-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-1-(2-phenylethyl)-1,4-diazepan-5-one has a molecular weight of 352.48 g/mol, XLogP of 2.37, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-1-(2-phenylethyl)-1,4-diazepan-5-one is sourced from PubChem (CID 24793762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).