4-(2-hydroxyethyl)-1-(2-phenylethyl)-1,4-diazepan-5-one

C15H22N2O2 — CID 24789397

IUPAC4-(2-hydroxyethyl)-1-(2-phenylethyl)-1,4-diazepan-5-one
SMILESO=C1CCN(CCc2ccccc2)CCN1CCO
InChIInChI=1S/C15H22N2O2/c18-13-12-17-11-10-16(9-7-15(17)19)8-6-14-4-2-1-3-5-14/h1-5,18H,6-13H2
InChIKeyVWWRDERSRBSEEN-UHFFFAOYSA-N
MW262.35 g/mol
LogP0.76
Rot. Bonds5

About 4-(2-hydroxyethyl)-1-(2-phenylethyl)-1,4-diazepan-5-one

4-(2-hydroxyethyl)-1-(2-phenylethyl)-1,4-diazepan-5-one (PubChem CID 24789397) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 4-(2-hydroxyethyl)-1-(2-phenylethyl)-1,4-diazepan-5-one.

Molecular Properties

Compound Name4-(2-hydroxyethyl)-1-(2-phenylethyl)-1,4-diazepan-5-one
PubChem CID24789397
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name4-(2-hydroxyethyl)-1-(2-phenylethyl)-1,4-diazepan-5-one
SMILESO=C1CCN(CCc2ccccc2)CCN1CCO
InChIInChI=1S/C15H22N2O2/c18-13-12-17-11-10-16(9-7-15(17)19)8-6-14-4-2-1-3-5-14/h1-5,18H,6-13H2
InChIKeyVWWRDERSRBSEEN-UHFFFAOYSA-N
XLogP0.76
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(3-Phenylpropanoyl)piperazin-1-yl]ethanol
CID 2942280
4-[(2S)-1-azido-3-phenylpropan-2-yl]-1-propyl-1,4-diazepan-5-one
CID 24761225
3-[[4-(2-Hydroxyethyl)-5-oxo-1,4-diazepan-1-yl]methyl]benzonitrile
CID 24761245
4-[(2S)-1-azido-3-phenylpropan-2-yl]-1-methyl-1,4-diazepan-5-one
CID 24761248
4-(2-Hydroxyethyl)-1-(3-phenylpropyl)-1,4-diazepan-5-one
CID 24761257
1-[(4-Bromophenyl)methyl]-4-(2-hydroxyethyl)-1,4-diazepan-5-one
CID 24761260
1-heptyl-4-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-1,4-diazepan-5-one
CID 24761262
4-[(1S)-2-hydroxy-1-phenylethyl]-1-(2-methylpropyl)-1,4-diazepan-5-one
CID 24761275
4-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-1-(2-phenylethyl)-1,4-diazepan-5-one
CID 24793762
3-Butenamide, N,N-bis(2-hydroxyethyl)-3-methyl-4-phenyl-
CID 6442279
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

Frequently Asked Questions

What is the IUPAC name of 4-(2-hydroxyethyl)-1-(2-phenylethyl)-1,4-diazepan-5-one?
The IUPAC name of 4-(2-hydroxyethyl)-1-(2-phenylethyl)-1,4-diazepan-5-one (CID 24789397) is 4-(2-hydroxyethyl)-1-(2-phenylethyl)-1,4-diazepan-5-one.
What is the SMILES notation for 4-(2-hydroxyethyl)-1-(2-phenylethyl)-1,4-diazepan-5-one?
The canonical SMILES for 4-(2-hydroxyethyl)-1-(2-phenylethyl)-1,4-diazepan-5-one is O=C1CCN(CCc2ccccc2)CCN1CCO.
What is the InChIKey of 4-(2-hydroxyethyl)-1-(2-phenylethyl)-1,4-diazepan-5-one?
The InChIKey is VWWRDERSRBSEEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c18-13-12-17-11-10-16(9-7-15(17)19)8-6-14-4-2-1-3-5-14/h1-5,18H,6-13H2.
What are the key properties of 4-(2-hydroxyethyl)-1-(2-phenylethyl)-1,4-diazepan-5-one?
4-(2-hydroxyethyl)-1-(2-phenylethyl)-1,4-diazepan-5-one has a molecular weight of 262.35 g/mol, XLogP of 0.76, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxyethyl)-1-(2-phenylethyl)-1,4-diazepan-5-one is sourced from PubChem (CID 24789397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).