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

C15H30N2O2 — CID 24761261

IUPAC4-[(2S)-1-hydroxy-4-methylpentan-2-yl]-1-(2-methylpropyl)-1,4-diazepan-5-one
SMILESCC(C)C[C@@H](CO)N1CCN(CC(C)C)CCC1=O
InChIInChI=1S/C15H30N2O2/c1-12(2)9-14(11-18)17-8-7-16(10-13(3)4)6-5-15(17)19/h12-14,18H,5-11H2,1-4H3/t14-/m0/s1
InChIKeyDKVSCMIWCBQMFD-AWEZNQCLSA-N
MW270.42 g/mol
LogP1.58
Rot. Bonds6

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

4-[(2S)-1-hydroxy-4-methylpentan-2-yl]-1-(2-methylpropyl)-1,4-diazepan-5-one (PubChem CID 24761261) has the molecular formula C15H30N2O2 and a molecular weight of 270.42 g/mol. Its IUPAC name is 4-[(2S)-1-hydroxy-4-methylpentan-2-yl]-1-(2-methylpropyl)-1,4-diazepan-5-one.

Molecular Properties

Compound Name4-[(2S)-1-hydroxy-4-methylpentan-2-yl]-1-(2-methylpropyl)-1,4-diazepan-5-one
PubChem CID24761261
Molecular FormulaC15H30N2O2
Molecular Weight270.42 g/mol
Exact Mass270.23
IUPAC Name4-[(2S)-1-hydroxy-4-methylpentan-2-yl]-1-(2-methylpropyl)-1,4-diazepan-5-one
SMILESCC(C)C[C@@H](CO)N1CCN(CC(C)C)CCC1=O
InChIInChI=1S/C15H30N2O2/c1-12(2)9-14(11-18)17-8-7-16(10-13(3)4)6-5-15(17)19/h12-14,18H,5-11H2,1-4H3/t14-/m0/s1
InChIKeyDKVSCMIWCBQMFD-AWEZNQCLSA-N
XLogP1.58
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 51.58
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-methylpropyl)-1,4-diazepan-5-one?
The IUPAC name of 4-[(2S)-1-hydroxy-4-methylpentan-2-yl]-1-(2-methylpropyl)-1,4-diazepan-5-one (CID 24761261) is 4-[(2S)-1-hydroxy-4-methylpentan-2-yl]-1-(2-methylpropyl)-1,4-diazepan-5-one.
What is the SMILES notation for 4-[(2S)-1-hydroxy-4-methylpentan-2-yl]-1-(2-methylpropyl)-1,4-diazepan-5-one?
The canonical SMILES for 4-[(2S)-1-hydroxy-4-methylpentan-2-yl]-1-(2-methylpropyl)-1,4-diazepan-5-one is CC(C)C[C@@H](CO)N1CCN(CC(C)C)CCC1=O.
What is the InChIKey of 4-[(2S)-1-hydroxy-4-methylpentan-2-yl]-1-(2-methylpropyl)-1,4-diazepan-5-one?
The InChIKey is DKVSCMIWCBQMFD-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H30N2O2/c1-12(2)9-14(11-18)17-8-7-16(10-13(3)4)6-5-15(17)19/h12-14,18H,5-11H2,1-4H3/t14-/m0/s1.
What are the key properties of 4-[(2S)-1-hydroxy-4-methylpentan-2-yl]-1-(2-methylpropyl)-1,4-diazepan-5-one?
4-[(2S)-1-hydroxy-4-methylpentan-2-yl]-1-(2-methylpropyl)-1,4-diazepan-5-one has a molecular weight of 270.42 g/mol, XLogP of 1.58, 6 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-methylpropyl)-1,4-diazepan-5-one is sourced from PubChem (CID 24761261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).