4-methyl-3-(methylamino)-1-(oxepan-2-ylmethyl)azepan-2-one

C15H28N2O2 — CID 22985060

IUPAC4-methyl-3-(methylamino)-1-(oxepan-2-ylmethyl)azepan-2-one
SMILESCNC1C(=O)N(CC2CCCCCO2)CCCC1C
InChIInChI=1S/C15H28N2O2/c1-12-7-6-9-17(15(18)14(12)16-2)11-13-8-4-3-5-10-19-13/h12-14,16H,3-11H2,1-2H3
InChIKeyDNBFOKOBDMHXBQ-UHFFFAOYSA-N
MW268.40 g/mol
LogP1.79
Rot. Bonds3

About 4-methyl-3-(methylamino)-1-(oxepan-2-ylmethyl)azepan-2-one

4-methyl-3-(methylamino)-1-(oxepan-2-ylmethyl)azepan-2-one (PubChem CID 22985060) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 4-methyl-3-(methylamino)-1-(oxepan-2-ylmethyl)azepan-2-one.

Molecular Properties

Compound Name4-methyl-3-(methylamino)-1-(oxepan-2-ylmethyl)azepan-2-one
PubChem CID22985060
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Name4-methyl-3-(methylamino)-1-(oxepan-2-ylmethyl)azepan-2-one
SMILESCNC1C(=O)N(CC2CCCCCO2)CCCC1C
InChIInChI=1S/C15H28N2O2/c1-12-7-6-9-17(15(18)14(12)16-2)11-13-8-4-3-5-10-19-13/h12-14,16H,3-11H2,1-2H3
InChIKeyDNBFOKOBDMHXBQ-UHFFFAOYSA-N
XLogP1.79
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-methyl-3-(methylamino)-1-(oxepan-2-ylmethyl)azepan-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-methyl-3-(methylamino)-1-(oxepan-2-ylmethyl)azepan-2-one?
The IUPAC name of 4-methyl-3-(methylamino)-1-(oxepan-2-ylmethyl)azepan-2-one (CID 22985060) is 4-methyl-3-(methylamino)-1-(oxepan-2-ylmethyl)azepan-2-one.
What is the SMILES notation for 4-methyl-3-(methylamino)-1-(oxepan-2-ylmethyl)azepan-2-one?
The canonical SMILES for 4-methyl-3-(methylamino)-1-(oxepan-2-ylmethyl)azepan-2-one is CNC1C(=O)N(CC2CCCCCO2)CCCC1C.
What is the InChIKey of 4-methyl-3-(methylamino)-1-(oxepan-2-ylmethyl)azepan-2-one?
The InChIKey is DNBFOKOBDMHXBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-12-7-6-9-17(15(18)14(12)16-2)11-13-8-4-3-5-10-19-13/h12-14,16H,3-11H2,1-2H3.
What are the key properties of 4-methyl-3-(methylamino)-1-(oxepan-2-ylmethyl)azepan-2-one?
4-methyl-3-(methylamino)-1-(oxepan-2-ylmethyl)azepan-2-one has a molecular weight of 268.40 g/mol, XLogP of 1.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-(methylamino)-1-(oxepan-2-ylmethyl)azepan-2-one is sourced from PubChem (CID 22985060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).