2-(3-methyl-2-oxo-1,4-diazepan-1-yl)-N-(oxan-4-yl)acetamide

C13H23N3O3 — CID 63258784

IUPAC2-(3-methyl-2-oxo-1,4-diazepan-1-yl)-N-(oxan-4-yl)acetamide
SMILESCC1NCCCN(CC(=O)NC2CCOCC2)C1=O
InChIInChI=1S/C13H23N3O3/c1-10-13(18)16(6-2-5-14-10)9-12(17)15-11-3-7-19-8-4-11/h10-11,14H,2-9H2,1H3,(H,15,17)
InChIKeyHDIJTFNSKCSYAR-UHFFFAOYSA-N
MW269.34 g/mol
LogP-0.51
Rot. Bonds3

About 2-(3-methyl-2-oxo-1,4-diazepan-1-yl)-N-(oxan-4-yl)acetamide

2-(3-methyl-2-oxo-1,4-diazepan-1-yl)-N-(oxan-4-yl)acetamide (PubChem CID 63258784) has the molecular formula C13H23N3O3 and a molecular weight of 269.34 g/mol. Its IUPAC name is 2-(3-methyl-2-oxo-1,4-diazepan-1-yl)-N-(oxan-4-yl)acetamide.

Molecular Properties

Compound Name2-(3-methyl-2-oxo-1,4-diazepan-1-yl)-N-(oxan-4-yl)acetamide
PubChem CID63258784
Molecular FormulaC13H23N3O3
Molecular Weight269.34 g/mol
Exact Mass269.17
IUPAC Name2-(3-methyl-2-oxo-1,4-diazepan-1-yl)-N-(oxan-4-yl)acetamide
SMILESCC1NCCCN(CC(=O)NC2CCOCC2)C1=O
InChIInChI=1S/C13H23N3O3/c1-10-13(18)16(6-2-5-14-10)9-12(17)15-11-3-7-19-8-4-11/h10-11,14H,2-9H2,1H3,(H,15,17)
InChIKeyHDIJTFNSKCSYAR-UHFFFAOYSA-N
XLogP-0.51
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 5-0.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(3-methyl-2-oxo-1,4-diazepan-1-yl)-N-(oxan-4-yl)acetamide 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 2-(3-methyl-2-oxo-1,4-diazepan-1-yl)-N-(oxan-4-yl)acetamide?
The IUPAC name of 2-(3-methyl-2-oxo-1,4-diazepan-1-yl)-N-(oxan-4-yl)acetamide (CID 63258784) is 2-(3-methyl-2-oxo-1,4-diazepan-1-yl)-N-(oxan-4-yl)acetamide.
What is the SMILES notation for 2-(3-methyl-2-oxo-1,4-diazepan-1-yl)-N-(oxan-4-yl)acetamide?
The canonical SMILES for 2-(3-methyl-2-oxo-1,4-diazepan-1-yl)-N-(oxan-4-yl)acetamide is CC1NCCCN(CC(=O)NC2CCOCC2)C1=O.
What is the InChIKey of 2-(3-methyl-2-oxo-1,4-diazepan-1-yl)-N-(oxan-4-yl)acetamide?
The InChIKey is HDIJTFNSKCSYAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O3/c1-10-13(18)16(6-2-5-14-10)9-12(17)15-11-3-7-19-8-4-11/h10-11,14H,2-9H2,1H3,(H,15,17).
What are the key properties of 2-(3-methyl-2-oxo-1,4-diazepan-1-yl)-N-(oxan-4-yl)acetamide?
2-(3-methyl-2-oxo-1,4-diazepan-1-yl)-N-(oxan-4-yl)acetamide has a molecular weight of 269.34 g/mol, XLogP of -0.51, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-2-oxo-1,4-diazepan-1-yl)-N-(oxan-4-yl)acetamide is sourced from PubChem (CID 63258784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).