1-(4-methoxyphenyl)-2-[methyl(oxan-3-ylmethyl)amino]ethanone

C16H23NO3 — CID 63712788

IUPAC1-(4-methoxyphenyl)-2-[methyl(oxan-3-ylmethyl)amino]ethanone
SMILESCOc1ccc(C(=O)CN(C)CC2CCCOC2)cc1
InChIInChI=1S/C16H23NO3/c1-17(10-13-4-3-9-20-12-13)11-16(18)14-5-7-15(19-2)8-6-14/h5-8,13H,3-4,9-12H2,1-2H3
InChIKeyCSLBOZRRMBFBMZ-UHFFFAOYSA-N
MW277.36 g/mol
LogP2.24
Rot. Bonds6

About 1-(4-methoxyphenyl)-2-[methyl(oxan-3-ylmethyl)amino]ethanone

1-(4-methoxyphenyl)-2-[methyl(oxan-3-ylmethyl)amino]ethanone (PubChem CID 63712788) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-2-[methyl(oxan-3-ylmethyl)amino]ethanone.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-2-[methyl(oxan-3-ylmethyl)amino]ethanone
PubChem CID63712788
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Name1-(4-methoxyphenyl)-2-[methyl(oxan-3-ylmethyl)amino]ethanone
SMILESCOc1ccc(C(=O)CN(C)CC2CCCOC2)cc1
InChIInChI=1S/C16H23NO3/c1-17(10-13-4-3-9-20-12-13)11-16(18)14-5-7-15(19-2)8-6-14/h5-8,13H,3-4,9-12H2,1-2H3
InChIKeyCSLBOZRRMBFBMZ-UHFFFAOYSA-N
XLogP2.24
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(4-methoxyphenyl)-2-[methyl(oxan-3-ylmethyl)amino]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-[cyclohexylmethyl(methyl)amino]-1-(4-methoxyphenyl)ethanone
CID 61446447
2-[methyl(oxan-3-ylmethyl)amino]-1-(4-propan-2-ylphenyl)ethanone
CID 63713462
1-(3,4-dimethylphenyl)-2-[methyl(oxan-3-ylmethyl)amino]ethanone
CID 63713632
1-(4-bromophenyl)-3-[methyl(oxan-3-ylmethyl)amino]propan-1-one
CID 63712506
1-(2,4-dimethylphenyl)-2-[methyl(oxan-3-ylmethyl)amino]ethanone
CID 63713465
4-methoxy-2-[[methyl(oxan-3-ylmethyl)amino]methyl]aniline
CID 115414154
4-[methyl(oxan-3-ylmethyl)amino]-1-phenylbutan-1-one
CID 63712078
2-[methyl(oxan-3-ylmethyl)amino]acetamide
CID 63713511
2-hydroxy-5-methoxy-N-methyl-N-(oxan-3-ylmethyl)benzamide
CID 63706198
1-(4-methoxyphenyl)-2-[methyl(oxan-3-ylmethyl)amino]propan-1-ol
CID 63712304
3-hydroxy-4-methoxy-N-methyl-N-(oxan-3-ylmethyl)benzamide
CID 79673553
6-methoxy-2-[methyl(oxan-3-ylmethyl)amino]-2,3-dihydro-1H-inden-1-ol
CID 79372390

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-2-[methyl(oxan-3-ylmethyl)amino]ethanone?
The IUPAC name of 1-(4-methoxyphenyl)-2-[methyl(oxan-3-ylmethyl)amino]ethanone (CID 63712788) is 1-(4-methoxyphenyl)-2-[methyl(oxan-3-ylmethyl)amino]ethanone.
What is the SMILES notation for 1-(4-methoxyphenyl)-2-[methyl(oxan-3-ylmethyl)amino]ethanone?
The canonical SMILES for 1-(4-methoxyphenyl)-2-[methyl(oxan-3-ylmethyl)amino]ethanone is COc1ccc(C(=O)CN(C)CC2CCCOC2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-2-[methyl(oxan-3-ylmethyl)amino]ethanone?
The InChIKey is CSLBOZRRMBFBMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-17(10-13-4-3-9-20-12-13)11-16(18)14-5-7-15(19-2)8-6-14/h5-8,13H,3-4,9-12H2,1-2H3.
What are the key properties of 1-(4-methoxyphenyl)-2-[methyl(oxan-3-ylmethyl)amino]ethanone?
1-(4-methoxyphenyl)-2-[methyl(oxan-3-ylmethyl)amino]ethanone has a molecular weight of 277.36 g/mol, XLogP of 2.24, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-2-[methyl(oxan-3-ylmethyl)amino]ethanone is sourced from PubChem (CID 63712788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).