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

C19H30N2O2 — CID 24789380

IUPAC4-[(2S)-1-hydroxy-4-methylpentan-2-yl]-1-(2-phenylethyl)-1,4-diazepan-5-one
SMILESCC(C)C[C@@H](CO)N1CCN(CCc2ccccc2)CCC1=O
InChIInChI=1S/C19H30N2O2/c1-16(2)14-18(15-22)21-13-12-20(11-9-19(21)23)10-8-17-6-4-3-5-7-17/h3-7,16,18,22H,8-15H2,1-2H3/t18-/m0/s1
InChIKeyYPZCJQYJTLLFEP-SFHVURJKSA-N
MW318.46 g/mol
LogP2.17
Rot. Bonds7

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

4-[(2S)-1-hydroxy-4-methylpentan-2-yl]-1-(2-phenylethyl)-1,4-diazepan-5-one (PubChem CID 24789380) has the molecular formula C19H30N2O2 and a molecular weight of 318.46 g/mol. Its IUPAC name is 4-[(2S)-1-hydroxy-4-methylpentan-2-yl]-1-(2-phenylethyl)-1,4-diazepan-5-one.

Molecular Properties

Compound Name4-[(2S)-1-hydroxy-4-methylpentan-2-yl]-1-(2-phenylethyl)-1,4-diazepan-5-one
PubChem CID24789380
Molecular FormulaC19H30N2O2
Molecular Weight318.46 g/mol
Exact Mass318.23
IUPAC Name4-[(2S)-1-hydroxy-4-methylpentan-2-yl]-1-(2-phenylethyl)-1,4-diazepan-5-one
SMILESCC(C)C[C@@H](CO)N1CCN(CCc2ccccc2)CCC1=O
InChIInChI=1S/C19H30N2O2/c1-16(2)14-18(15-22)21-13-12-20(11-9-19(21)23)10-8-17-6-4-3-5-7-17/h3-7,16,18,22H,8-15H2,1-2H3/t18-/m0/s1
InChIKeyYPZCJQYJTLLFEP-SFHVURJKSA-N
XLogP2.17
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 52.17
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-4-methylpentan-2-yl]-1-(2-phenylethyl)-1,4-diazepan-5-one?
The IUPAC name of 4-[(2S)-1-hydroxy-4-methylpentan-2-yl]-1-(2-phenylethyl)-1,4-diazepan-5-one (CID 24789380) is 4-[(2S)-1-hydroxy-4-methylpentan-2-yl]-1-(2-phenylethyl)-1,4-diazepan-5-one.
What is the SMILES notation for 4-[(2S)-1-hydroxy-4-methylpentan-2-yl]-1-(2-phenylethyl)-1,4-diazepan-5-one?
The canonical SMILES for 4-[(2S)-1-hydroxy-4-methylpentan-2-yl]-1-(2-phenylethyl)-1,4-diazepan-5-one is CC(C)C[C@@H](CO)N1CCN(CCc2ccccc2)CCC1=O.
What is the InChIKey of 4-[(2S)-1-hydroxy-4-methylpentan-2-yl]-1-(2-phenylethyl)-1,4-diazepan-5-one?
The InChIKey is YPZCJQYJTLLFEP-SFHVURJKSA-N. The full InChI is InChI=1S/C19H30N2O2/c1-16(2)14-18(15-22)21-13-12-20(11-9-19(21)23)10-8-17-6-4-3-5-7-17/h3-7,16,18,22H,8-15H2,1-2H3/t18-/m0/s1.
What are the key properties of 4-[(2S)-1-hydroxy-4-methylpentan-2-yl]-1-(2-phenylethyl)-1,4-diazepan-5-one?
4-[(2S)-1-hydroxy-4-methylpentan-2-yl]-1-(2-phenylethyl)-1,4-diazepan-5-one has a molecular weight of 318.46 g/mol, XLogP of 2.17, 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-4-methylpentan-2-yl]-1-(2-phenylethyl)-1,4-diazepan-5-one is sourced from PubChem (CID 24789380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).