1-benzyl-4-(1-hydroxy-3-methylbutan-2-yl)-1,4-diazepan-5-one

C17H26N2O2 — CID 16746533

IUPAC1-benzyl-4-(1-hydroxy-3-methylbutan-2-yl)-1,4-diazepan-5-one
SMILESCC(C)C(CO)N1CCN(Cc2ccccc2)CCC1=O
InChIInChI=1S/C17H26N2O2/c1-14(2)16(13-20)19-11-10-18(9-8-17(19)21)12-15-6-4-3-5-7-15/h3-7,14,16,20H,8-13H2,1-2H3
InChIKeyUEYNZHIEVDJZKP-UHFFFAOYSA-N
MW290.41 g/mol
LogP1.74
Rot. Bonds5

About 1-benzyl-4-(1-hydroxy-3-methylbutan-2-yl)-1,4-diazepan-5-one

1-benzyl-4-(1-hydroxy-3-methylbutan-2-yl)-1,4-diazepan-5-one (PubChem CID 16746533) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 1-benzyl-4-(1-hydroxy-3-methylbutan-2-yl)-1,4-diazepan-5-one.

Molecular Properties

Compound Name1-benzyl-4-(1-hydroxy-3-methylbutan-2-yl)-1,4-diazepan-5-one
PubChem CID16746533
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name1-benzyl-4-(1-hydroxy-3-methylbutan-2-yl)-1,4-diazepan-5-one
SMILESCC(C)C(CO)N1CCN(Cc2ccccc2)CCC1=O
InChIInChI=1S/C17H26N2O2/c1-14(2)16(13-20)19-11-10-18(9-8-17(19)21)12-15-6-4-3-5-7-15/h3-7,14,16,20H,8-13H2,1-2H3
InChIKeyUEYNZHIEVDJZKP-UHFFFAOYSA-N
XLogP1.74
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-(1-hydroxy-3-methylbutan-2-yl)-1,4-diazepan-5-one?
The IUPAC name of 1-benzyl-4-(1-hydroxy-3-methylbutan-2-yl)-1,4-diazepan-5-one (CID 16746533) is 1-benzyl-4-(1-hydroxy-3-methylbutan-2-yl)-1,4-diazepan-5-one.
What is the SMILES notation for 1-benzyl-4-(1-hydroxy-3-methylbutan-2-yl)-1,4-diazepan-5-one?
The canonical SMILES for 1-benzyl-4-(1-hydroxy-3-methylbutan-2-yl)-1,4-diazepan-5-one is CC(C)C(CO)N1CCN(Cc2ccccc2)CCC1=O.
What is the InChIKey of 1-benzyl-4-(1-hydroxy-3-methylbutan-2-yl)-1,4-diazepan-5-one?
The InChIKey is UEYNZHIEVDJZKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-14(2)16(13-20)19-11-10-18(9-8-17(19)21)12-15-6-4-3-5-7-15/h3-7,14,16,20H,8-13H2,1-2H3.
What are the key properties of 1-benzyl-4-(1-hydroxy-3-methylbutan-2-yl)-1,4-diazepan-5-one?
1-benzyl-4-(1-hydroxy-3-methylbutan-2-yl)-1,4-diazepan-5-one has a molecular weight of 290.41 g/mol, XLogP of 1.74, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-(1-hydroxy-3-methylbutan-2-yl)-1,4-diazepan-5-one is sourced from PubChem (CID 16746533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).