1-[3-methoxy-2-(oxetan-3-yloxy)phenyl]-2-(methylamino)ethanone

C13H17NO4 — CID 115005075

IUPAC1-[3-methoxy-2-(oxetan-3-yloxy)phenyl]-2-(methylamino)ethanone
SMILESCNCC(=O)c1cccc(OC)c1OC1COC1
InChIInChI=1S/C13H17NO4/c1-14-6-11(15)10-4-3-5-12(16-2)13(10)18-9-7-17-8-9/h3-5,9,14H,6-8H2,1-2H3
InChIKeyRRMIVNDUNBZLJZ-UHFFFAOYSA-N
MW251.28 g/mol
LogP0.87
Rot. Bonds6

About 1-[3-methoxy-2-(oxetan-3-yloxy)phenyl]-2-(methylamino)ethanone

1-[3-methoxy-2-(oxetan-3-yloxy)phenyl]-2-(methylamino)ethanone (PubChem CID 115005075) has the molecular formula C13H17NO4 and a molecular weight of 251.28 g/mol. Its IUPAC name is 1-[3-methoxy-2-(oxetan-3-yloxy)phenyl]-2-(methylamino)ethanone.

Molecular Properties

Compound Name1-[3-methoxy-2-(oxetan-3-yloxy)phenyl]-2-(methylamino)ethanone
PubChem CID115005075
Molecular FormulaC13H17NO4
Molecular Weight251.28 g/mol
Exact Mass251.12
IUPAC Name1-[3-methoxy-2-(oxetan-3-yloxy)phenyl]-2-(methylamino)ethanone
SMILESCNCC(=O)c1cccc(OC)c1OC1COC1
InChIInChI=1S/C13H17NO4/c1-14-6-11(15)10-4-3-5-12(16-2)13(10)18-9-7-17-8-9/h3-5,9,14H,6-8H2,1-2H3
InChIKeyRRMIVNDUNBZLJZ-UHFFFAOYSA-N
XLogP0.87
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[3-methoxy-2-(oxetan-3-yloxy)phenyl]-2-(methylamino)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

1-[3-methoxy-2-(thian-3-yloxy)phenyl]-2-(methylamino)ethanone
CID 117476144
3-amino-1-(2-cyclopropyloxy-3-methoxyphenyl)propan-1-one
CID 117342156
N-[2-methoxy-6-[2-(methylamino)acetyl]phenyl]acetamide
CID 105497642
ethyl 2-hydroxy-2-[3-methoxy-2-(oxetan-3-yloxy)phenyl]acetate
CID 117453495
methyl 2-cyclopentyloxy-3-methoxybenzoate
CID 117054108
2-(methylamino)-1-[2-(oxetan-3-yl)phenyl]ethanone
CID 115005818
1-[2-methoxy-5-(oxolan-3-yl)phenyl]-2-(methylamino)ethanone
CID 117376242
1-[2-(2-methoxyethoxy)phenyl]-2-(methylamino)ethanone
CID 116553800
1-[3-methoxy-2-(oxetan-3-yloxy)phenyl]cyclopentan-1-amine
CID 117412880
[3-methoxy-2-(oxolan-3-yloxy)phenyl]methanol
CID 63558981
1-[2-(difluoromethyl)-6-methoxyphenyl]-2-(methylamino)ethanone
CID 117330007
1-[2-methoxy-6-(trifluoromethyl)phenyl]-2-(methylamino)ethanone
CID 117369605

Frequently Asked Questions

What is the IUPAC name of 1-[3-methoxy-2-(oxetan-3-yloxy)phenyl]-2-(methylamino)ethanone?
The IUPAC name of 1-[3-methoxy-2-(oxetan-3-yloxy)phenyl]-2-(methylamino)ethanone (CID 115005075) is 1-[3-methoxy-2-(oxetan-3-yloxy)phenyl]-2-(methylamino)ethanone.
What is the SMILES notation for 1-[3-methoxy-2-(oxetan-3-yloxy)phenyl]-2-(methylamino)ethanone?
The canonical SMILES for 1-[3-methoxy-2-(oxetan-3-yloxy)phenyl]-2-(methylamino)ethanone is CNCC(=O)c1cccc(OC)c1OC1COC1.
What is the InChIKey of 1-[3-methoxy-2-(oxetan-3-yloxy)phenyl]-2-(methylamino)ethanone?
The InChIKey is RRMIVNDUNBZLJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO4/c1-14-6-11(15)10-4-3-5-12(16-2)13(10)18-9-7-17-8-9/h3-5,9,14H,6-8H2,1-2H3.
What are the key properties of 1-[3-methoxy-2-(oxetan-3-yloxy)phenyl]-2-(methylamino)ethanone?
1-[3-methoxy-2-(oxetan-3-yloxy)phenyl]-2-(methylamino)ethanone has a molecular weight of 251.28 g/mol, XLogP of 0.87, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-methoxy-2-(oxetan-3-yloxy)phenyl]-2-(methylamino)ethanone is sourced from PubChem (CID 115005075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).