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

C23H30N2O2 — CID 24761264

IUPAC4-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-1-(3-phenylpropyl)-1,4-diazepan-5-one
SMILESO=C1CCN(CCCc2ccccc2)CCN1[C@H](CO)Cc1ccccc1
InChIInChI=1S/C23H30N2O2/c26-19-22(18-21-10-5-2-6-11-21)25-17-16-24(15-13-23(25)27)14-7-12-20-8-3-1-4-9-20/h1-6,8-11,22,26H,7,12-19H2/t22-/m0/s1
InChIKeyJVIRRTBYCZXOQN-QFIPXVFZSA-N
MW366.50 g/mol
LogP2.76
Rot. Bonds8

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

4-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-1-(3-phenylpropyl)-1,4-diazepan-5-one (PubChem CID 24761264) has the molecular formula C23H30N2O2 and a molecular weight of 366.50 g/mol. Its IUPAC name is 4-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-1-(3-phenylpropyl)-1,4-diazepan-5-one.

Molecular Properties

Compound Name4-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-1-(3-phenylpropyl)-1,4-diazepan-5-one
PubChem CID24761264
Molecular FormulaC23H30N2O2
Molecular Weight366.50 g/mol
Exact Mass366.23
IUPAC Name4-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-1-(3-phenylpropyl)-1,4-diazepan-5-one
SMILESO=C1CCN(CCCc2ccccc2)CCN1[C@H](CO)Cc1ccccc1
InChIInChI=1S/C23H30N2O2/c26-19-22(18-21-10-5-2-6-11-21)25-17-16-24(15-13-23(25)27)14-7-12-20-8-3-1-4-9-20/h1-6,8-11,22,26H,7,12-19H2/t22-/m0/s1
InChIKeyJVIRRTBYCZXOQN-QFIPXVFZSA-N
XLogP2.76
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.50
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-1-(3-phenylpropyl)-1,4-diazepan-5-one?
The IUPAC name of 4-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-1-(3-phenylpropyl)-1,4-diazepan-5-one (CID 24761264) is 4-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-1-(3-phenylpropyl)-1,4-diazepan-5-one.
What is the SMILES notation for 4-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-1-(3-phenylpropyl)-1,4-diazepan-5-one?
The canonical SMILES for 4-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-1-(3-phenylpropyl)-1,4-diazepan-5-one is O=C1CCN(CCCc2ccccc2)CCN1[C@H](CO)Cc1ccccc1.
What is the InChIKey of 4-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-1-(3-phenylpropyl)-1,4-diazepan-5-one?
The InChIKey is JVIRRTBYCZXOQN-QFIPXVFZSA-N. The full InChI is InChI=1S/C23H30N2O2/c26-19-22(18-21-10-5-2-6-11-21)25-17-16-24(15-13-23(25)27)14-7-12-20-8-3-1-4-9-20/h1-6,8-11,22,26H,7,12-19H2/t22-/m0/s1.
What are the key properties of 4-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-1-(3-phenylpropyl)-1,4-diazepan-5-one?
4-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-1-(3-phenylpropyl)-1,4-diazepan-5-one has a molecular weight of 366.50 g/mol, XLogP of 2.76, 8 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-(3-phenylpropyl)-1,4-diazepan-5-one is sourced from PubChem (CID 24761264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).