4-(2,2-dimethylpropanoyl)-1-(furan-2-ylmethyl)-6-hydroxy-1,4-diazepan-2-one

C15H22N2O4 — CID 118738549

IUPAC4-(2,2-dimethylpropanoyl)-1-(furan-2-ylmethyl)-6-hydroxy-1,4-diazepan-2-one
SMILESCC(C)(C)C(=O)N1CC(=O)N(Cc2ccco2)CC(O)C1
InChIInChI=1S/C15H22N2O4/c1-15(2,3)14(20)17-8-11(18)7-16(13(19)10-17)9-12-5-4-6-21-12/h4-6,11,18H,7-10H2,1-3H3
InChIKeyKUAFXJCPWDESJC-UHFFFAOYSA-N
MW294.35 g/mol
LogP0.86
Rot. Bonds2

About 4-(2,2-dimethylpropanoyl)-1-(furan-2-ylmethyl)-6-hydroxy-1,4-diazepan-2-one

4-(2,2-dimethylpropanoyl)-1-(furan-2-ylmethyl)-6-hydroxy-1,4-diazepan-2-one (PubChem CID 118738549) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is 4-(2,2-dimethylpropanoyl)-1-(furan-2-ylmethyl)-6-hydroxy-1,4-diazepan-2-one.

Molecular Properties

Compound Name4-(2,2-dimethylpropanoyl)-1-(furan-2-ylmethyl)-6-hydroxy-1,4-diazepan-2-one
PubChem CID118738549
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC Name4-(2,2-dimethylpropanoyl)-1-(furan-2-ylmethyl)-6-hydroxy-1,4-diazepan-2-one
SMILESCC(C)(C)C(=O)N1CC(=O)N(Cc2ccco2)CC(O)C1
InChIInChI=1S/C15H22N2O4/c1-15(2,3)14(20)17-8-11(18)7-16(13(19)10-17)9-12-5-4-6-21-12/h4-6,11,18H,7-10H2,1-3H3
InChIKeyKUAFXJCPWDESJC-UHFFFAOYSA-N
XLogP0.86
TPSA73.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(2,2-dimethylpropanoyl)-1-(furan-2-ylmethyl)-6-hydroxy-1,4-diazepan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(2,2-dimethylpropanoyl)-1-(furan-2-ylmethyl)-6-hydroxy-1,4-diazepan-2-one?
The IUPAC name of 4-(2,2-dimethylpropanoyl)-1-(furan-2-ylmethyl)-6-hydroxy-1,4-diazepan-2-one (CID 118738549) is 4-(2,2-dimethylpropanoyl)-1-(furan-2-ylmethyl)-6-hydroxy-1,4-diazepan-2-one.
What is the SMILES notation for 4-(2,2-dimethylpropanoyl)-1-(furan-2-ylmethyl)-6-hydroxy-1,4-diazepan-2-one?
The canonical SMILES for 4-(2,2-dimethylpropanoyl)-1-(furan-2-ylmethyl)-6-hydroxy-1,4-diazepan-2-one is CC(C)(C)C(=O)N1CC(=O)N(Cc2ccco2)CC(O)C1.
What is the InChIKey of 4-(2,2-dimethylpropanoyl)-1-(furan-2-ylmethyl)-6-hydroxy-1,4-diazepan-2-one?
The InChIKey is KUAFXJCPWDESJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-15(2,3)14(20)17-8-11(18)7-16(13(19)10-17)9-12-5-4-6-21-12/h4-6,11,18H,7-10H2,1-3H3.
What are the key properties of 4-(2,2-dimethylpropanoyl)-1-(furan-2-ylmethyl)-6-hydroxy-1,4-diazepan-2-one?
4-(2,2-dimethylpropanoyl)-1-(furan-2-ylmethyl)-6-hydroxy-1,4-diazepan-2-one has a molecular weight of 294.35 g/mol, XLogP of 0.86, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-dimethylpropanoyl)-1-(furan-2-ylmethyl)-6-hydroxy-1,4-diazepan-2-one is sourced from PubChem (CID 118738549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).