1-[4-methoxy-3-[[methyl(oxan-4-yl)amino]methyl]phenyl]ethanone

C16H23NO3 — CID 43789493

IUPAC1-[4-methoxy-3-[[methyl(oxan-4-yl)amino]methyl]phenyl]ethanone
SMILESCOc1ccc(C(C)=O)cc1CN(C)C1CCOCC1
InChIInChI=1S/C16H23NO3/c1-12(18)13-4-5-16(19-3)14(10-13)11-17(2)15-6-8-20-9-7-15/h4-5,10,15H,6-9,11H2,1-3H3
InChIKeyLMNYXIFTVOVPJD-UHFFFAOYSA-N
MW277.36 g/mol
LogP2.51
Rot. Bonds5

About 1-[4-methoxy-3-[[methyl(oxan-4-yl)amino]methyl]phenyl]ethanone

1-[4-methoxy-3-[[methyl(oxan-4-yl)amino]methyl]phenyl]ethanone (PubChem CID 43789493) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is 1-[4-methoxy-3-[[methyl(oxan-4-yl)amino]methyl]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-methoxy-3-[[methyl(oxan-4-yl)amino]methyl]phenyl]ethanone
PubChem CID43789493
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Name1-[4-methoxy-3-[[methyl(oxan-4-yl)amino]methyl]phenyl]ethanone
SMILESCOc1ccc(C(C)=O)cc1CN(C)C1CCOCC1
InChIInChI=1S/C16H23NO3/c1-12(18)13-4-5-16(19-3)14(10-13)11-17(2)15-6-8-20-9-7-15/h4-5,10,15H,6-9,11H2,1-3H3
InChIKeyLMNYXIFTVOVPJD-UHFFFAOYSA-N
XLogP2.51
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-methoxy-3-[[methyl(piperidin-4-yl)amino]methyl]phenyl]ethanone
CID 43607598
4-methoxy-3-[[methyl(oxolan-3-yl)amino]methyl]benzenecarbothioamide
CID 82738637
1-[3-[[cyclopentyl(2-hydroxyethyl)amino]methyl]-4-methoxyphenyl]ethanone
CID 60911414
3-[(5-acetyl-2-methoxyphenyl)methyl-cyclopropylamino]propanoic acid
CID 60839543
2-(5-acetyl-2-methoxyphenyl)-N,N-dimethylacetamide
CID 78792072
4-chloro-2-methoxy-6-[[methyl(oxan-4-yl)amino]methyl]phenol
CID 104643527
2-(5-acetyl-2-methoxyphenyl)acetic acid
CID 2535148
1-[3-(hydroxymethyl)-4-methoxyphenyl]ethanone
CID 4689851
1-[5-fluoro-2-hydroxy-3-[[methyl(oxan-4-yl)amino]methyl]phenyl]ethanone
CID 43793203
1-[4-methoxy-3-[[methyl(2-methylbutan-2-yl)amino]methyl]phenyl]ethanone
CID 63965306
1-[4-methoxy-3-(oxetan-3-ylsulfanylmethyl)phenyl]ethanone
CID 79327422
2-(5-acetyl-2-methoxyphenyl)-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]acetamide
CID 39966518

Frequently Asked Questions

What is the IUPAC name of 1-[4-methoxy-3-[[methyl(oxan-4-yl)amino]methyl]phenyl]ethanone?
The IUPAC name of 1-[4-methoxy-3-[[methyl(oxan-4-yl)amino]methyl]phenyl]ethanone (CID 43789493) is 1-[4-methoxy-3-[[methyl(oxan-4-yl)amino]methyl]phenyl]ethanone.
What is the SMILES notation for 1-[4-methoxy-3-[[methyl(oxan-4-yl)amino]methyl]phenyl]ethanone?
The canonical SMILES for 1-[4-methoxy-3-[[methyl(oxan-4-yl)amino]methyl]phenyl]ethanone is COc1ccc(C(C)=O)cc1CN(C)C1CCOCC1.
What is the InChIKey of 1-[4-methoxy-3-[[methyl(oxan-4-yl)amino]methyl]phenyl]ethanone?
The InChIKey is LMNYXIFTVOVPJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-12(18)13-4-5-16(19-3)14(10-13)11-17(2)15-6-8-20-9-7-15/h4-5,10,15H,6-9,11H2,1-3H3.
What are the key properties of 1-[4-methoxy-3-[[methyl(oxan-4-yl)amino]methyl]phenyl]ethanone?
1-[4-methoxy-3-[[methyl(oxan-4-yl)amino]methyl]phenyl]ethanone has a molecular weight of 277.36 g/mol, XLogP of 2.51, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-methoxy-3-[[methyl(oxan-4-yl)amino]methyl]phenyl]ethanone is sourced from PubChem (CID 43789493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).