1-(4-methylazepan-1-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone

C13H25NO2 — CID 112605170

IUPAC1-(4-methylazepan-1-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone
SMILESCC1CCCN(C(=O)COC(C)(C)C)CC1
InChIInChI=1S/C13H25NO2/c1-11-6-5-8-14(9-7-11)12(15)10-16-13(2,3)4/h11H,5-10H2,1-4H3
InChIKeyQBLOZWYURUGCRO-UHFFFAOYSA-N
MW227.35 g/mol
LogP2.45
Rot. Bonds2

About 1-(4-methylazepan-1-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone

1-(4-methylazepan-1-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone (PubChem CID 112605170) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is 1-(4-methylazepan-1-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone.

Molecular Properties

Compound Name1-(4-methylazepan-1-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone
PubChem CID112605170
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Name1-(4-methylazepan-1-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone
SMILESCC1CCCN(C(=O)COC(C)(C)C)CC1
InChIInChI=1S/C13H25NO2/c1-11-6-5-8-14(9-7-11)12(15)10-16-13(2,3)4/h11H,5-10H2,1-4H3
InChIKeyQBLOZWYURUGCRO-UHFFFAOYSA-N
XLogP2.45
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(4-methylazepan-1-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone 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

2-ethoxy-1-(4-methylazepan-1-yl)ethanone
CID 62046305
1-(4-methoxypiperidin-1-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone
CID 112604331
1-[2-[(2-methylpropan-2-yl)oxy]acetyl]-N-propan-2-ylpiperidine-4-carboxamide
CID 155051717
3-amino-3-methyl-1-(4-methylazepan-1-yl)butan-1-one
CID 64677870
2-bromo-1-(4-methylazepan-1-yl)ethanone
CID 63679167
2-[(2-methylpropan-2-yl)oxy]-1-(2-methylpyrrolidin-1-yl)ethanone
CID 112604725
2-aminooxy-1-(4-methylpiperidin-1-yl)ethanone
CID 83967675
1-[3-(2-chloroethyl)piperidin-1-yl]-2-[(2-methylpropan-2-yl)oxy]ethanone
CID 112603975
N-methyl-1-[2-[(2-methylpropan-2-yl)oxy]acetyl]piperidine-3-carboxamide
CID 103944365
2-(methoxymethoxy)-1-(4-methylpiperidin-1-yl)ethanone
CID 143192763
1-(4-methylpiperidin-1-yl)-3-pyrrolidin-1-ylpropane-1,3-dione
CID 108941930
1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-[(2-methylpropan-2-yl)oxy]ethanone
CID 103940379

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylazepan-1-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone?
The IUPAC name of 1-(4-methylazepan-1-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone (CID 112605170) is 1-(4-methylazepan-1-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone.
What is the SMILES notation for 1-(4-methylazepan-1-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone?
The canonical SMILES for 1-(4-methylazepan-1-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone is CC1CCCN(C(=O)COC(C)(C)C)CC1.
What is the InChIKey of 1-(4-methylazepan-1-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone?
The InChIKey is QBLOZWYURUGCRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-11-6-5-8-14(9-7-11)12(15)10-16-13(2,3)4/h11H,5-10H2,1-4H3.
What are the key properties of 1-(4-methylazepan-1-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone?
1-(4-methylazepan-1-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone has a molecular weight of 227.35 g/mol, XLogP of 2.45, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylazepan-1-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone is sourced from PubChem (CID 112605170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).