1-(2-methoxyethyl)-6-phenylazepan-2-one

C15H21NO2 — CID 22293183

IUPAC1-(2-methoxyethyl)-6-phenylazepan-2-one
SMILESCOCCN1CC(c2ccccc2)CCCC1=O
InChIInChI=1S/C15H21NO2/c1-18-11-10-16-12-14(8-5-9-15(16)17)13-6-3-2-4-7-13/h2-4,6-7,14H,5,8-12H2,1H3
InChIKeyZJPZAKQXVOKIOB-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.43
Rot. Bonds4

About 1-(2-methoxyethyl)-6-phenylazepan-2-one

1-(2-methoxyethyl)-6-phenylazepan-2-one (PubChem CID 22293183) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-6-phenylazepan-2-one.

Molecular Properties

Compound Name1-(2-methoxyethyl)-6-phenylazepan-2-one
PubChem CID22293183
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name1-(2-methoxyethyl)-6-phenylazepan-2-one
SMILESCOCCN1CC(c2ccccc2)CCCC1=O
InChIInChI=1S/C15H21NO2/c1-18-11-10-16-12-14(8-5-9-15(16)17)13-6-3-2-4-7-13/h2-4,6-7,14H,5,8-12H2,1H3
InChIKeyZJPZAKQXVOKIOB-UHFFFAOYSA-N
XLogP2.43
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(2-methoxyethyl)-6-phenylazepan-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

N,N-Diethyl-2-phenylacetamide
CID 17076
4-[(2,6-Dimethylphenyl)acetyl]morpholine
CID 839325
1-(Morpholin-4-yl)-3-phenylpropan-1-one
CID 532825
2-(3-Methylphenyl)-1-morpholin-4-ylethanone
CID 6470636
N,N-diethyl-2,2-diphenylacetamide
CID 229107
1-Morpholino-2,2-diphenylethanone
CID 229280
Methyl 2-oxo-4-phenyl-1-pyrrolidinecarboxylate
CID 2843063
2-phenyl-N,N-di(propan-2-yl)butanamide
CID 3747942
3-(6-Phenylhexanoyl) oxazolidin-2-one
CID 101746948
1-Morpholin-4-yl-2-phenylpropan-1-one
CID 11031349
2-(2-Methylphenyl)-1-morpholin-4-ylethanone
CID 6468639
N-(2-hydroxyethyl)-N-methyl-2,2-diphenylacetamide
CID 921388

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-6-phenylazepan-2-one?
The IUPAC name of 1-(2-methoxyethyl)-6-phenylazepan-2-one (CID 22293183) is 1-(2-methoxyethyl)-6-phenylazepan-2-one.
What is the SMILES notation for 1-(2-methoxyethyl)-6-phenylazepan-2-one?
The canonical SMILES for 1-(2-methoxyethyl)-6-phenylazepan-2-one is COCCN1CC(c2ccccc2)CCCC1=O.
What is the InChIKey of 1-(2-methoxyethyl)-6-phenylazepan-2-one?
The InChIKey is ZJPZAKQXVOKIOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-18-11-10-16-12-14(8-5-9-15(16)17)13-6-3-2-4-7-13/h2-4,6-7,14H,5,8-12H2,1H3.
What are the key properties of 1-(2-methoxyethyl)-6-phenylazepan-2-one?
1-(2-methoxyethyl)-6-phenylazepan-2-one has a molecular weight of 247.34 g/mol, XLogP of 2.43, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-6-phenylazepan-2-one is sourced from PubChem (CID 22293183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).