3-[3-[1-(methylamino)ethyl]phenoxy]azepan-2-one

C15H22N2O2 — CID 43279877

IUPAC3-[3-[1-(methylamino)ethyl]phenoxy]azepan-2-one
SMILESCNC(C)c1cccc(OC2CCCCNC2=O)c1
InChIInChI=1S/C15H22N2O2/c1-11(16-2)12-6-5-7-13(10-12)19-14-8-3-4-9-17-15(14)18/h5-7,10-11,14,16H,3-4,8-9H2,1-2H3,(H,17,18)
InChIKeyBAVJNAVRFPSFNZ-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.01
Rot. Bonds4

About 3-[3-[1-(methylamino)ethyl]phenoxy]azepan-2-one

3-[3-[1-(methylamino)ethyl]phenoxy]azepan-2-one (PubChem CID 43279877) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 3-[3-[1-(methylamino)ethyl]phenoxy]azepan-2-one.

Molecular Properties

Compound Name3-[3-[1-(methylamino)ethyl]phenoxy]azepan-2-one
PubChem CID43279877
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name3-[3-[1-(methylamino)ethyl]phenoxy]azepan-2-one
SMILESCNC(C)c1cccc(OC2CCCCNC2=O)c1
InChIInChI=1S/C15H22N2O2/c1-11(16-2)12-6-5-7-13(10-12)19-14-8-3-4-9-17-15(14)18/h5-7,10-11,14,16H,3-4,8-9H2,1-2H3,(H,17,18)
InChIKeyBAVJNAVRFPSFNZ-UHFFFAOYSA-N
XLogP2.01
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[3-[1-(methylamino)ethyl]phenoxy]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

Related Compounds

3-[3-[(1R)-1-hydroxyethyl]phenoxy]azepan-2-one
CID 55189361
3-[3-fluoro-4-[1-(methylamino)ethyl]phenoxy]azepan-2-one
CID 107716929
3-(2-oxoazepan-3-yl)oxybenzoic acid
CID 43176358
3-[3-(trifluoromethyl)phenoxy]piperidin-2-one
CID 138484952
3-[1-(methylamino)ethyl]-N-(2-oxopiperidin-3-yl)benzenesulfonamide
CID 62093994
3-[4-[1-(ethylamino)propyl]phenoxy]azepan-2-one
CID 43280133
1-[2-[3-[1-(methylamino)ethyl]phenoxy]ethyl]imidazolidin-2-one
CID 43279878
3-[(3-oxo-1-benzofuran-6-yl)oxy]azepan-2-one
CID 63094843
N-methyl-1-[3-(5-oxaspiro[3.5]nonan-8-yloxy)phenyl]ethanamine
CID 79905000
2-methyl-4-(2-oxoazepan-3-yl)oxybenzenesulfonamide
CID 82914661
3-(4-acetyl-3-fluorophenoxy)azepan-2-one
CID 107719380
3-(3-hydroxy-5-methylphenoxy)azepan-2-one
CID 107680235

Frequently Asked Questions

What is the IUPAC name of 3-[3-[1-(methylamino)ethyl]phenoxy]azepan-2-one?
The IUPAC name of 3-[3-[1-(methylamino)ethyl]phenoxy]azepan-2-one (CID 43279877) is 3-[3-[1-(methylamino)ethyl]phenoxy]azepan-2-one.
What is the SMILES notation for 3-[3-[1-(methylamino)ethyl]phenoxy]azepan-2-one?
The canonical SMILES for 3-[3-[1-(methylamino)ethyl]phenoxy]azepan-2-one is CNC(C)c1cccc(OC2CCCCNC2=O)c1.
What is the InChIKey of 3-[3-[1-(methylamino)ethyl]phenoxy]azepan-2-one?
The InChIKey is BAVJNAVRFPSFNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-11(16-2)12-6-5-7-13(10-12)19-14-8-3-4-9-17-15(14)18/h5-7,10-11,14,16H,3-4,8-9H2,1-2H3,(H,17,18).
What are the key properties of 3-[3-[1-(methylamino)ethyl]phenoxy]azepan-2-one?
3-[3-[1-(methylamino)ethyl]phenoxy]azepan-2-one has a molecular weight of 262.35 g/mol, XLogP of 2.01, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[1-(methylamino)ethyl]phenoxy]azepan-2-one is sourced from PubChem (CID 43279877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).