1-(2,4-dimethylphenyl)-2-[methyl(oxan-4-yl)amino]ethanone

C16H23NO2 — CID 43797441

IUPAC1-(2,4-dimethylphenyl)-2-[methyl(oxan-4-yl)amino]ethanone
SMILESCc1ccc(C(=O)CN(C)C2CCOCC2)c(C)c1
InChIInChI=1S/C16H23NO2/c1-12-4-5-15(13(2)10-12)16(18)11-17(3)14-6-8-19-9-7-14/h4-5,10,14H,6-9,11H2,1-3H3
InChIKeyUFBVXQOJOHNDEH-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.60
Rot. Bonds4

About 1-(2,4-dimethylphenyl)-2-[methyl(oxan-4-yl)amino]ethanone

1-(2,4-dimethylphenyl)-2-[methyl(oxan-4-yl)amino]ethanone (PubChem CID 43797441) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is 1-(2,4-dimethylphenyl)-2-[methyl(oxan-4-yl)amino]ethanone.

Molecular Properties

Compound Name1-(2,4-dimethylphenyl)-2-[methyl(oxan-4-yl)amino]ethanone
PubChem CID43797441
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Name1-(2,4-dimethylphenyl)-2-[methyl(oxan-4-yl)amino]ethanone
SMILESCc1ccc(C(=O)CN(C)C2CCOCC2)c(C)c1
InChIInChI=1S/C16H23NO2/c1-12-4-5-15(13(2)10-12)16(18)11-17(3)14-6-8-19-9-7-14/h4-5,10,14H,6-9,11H2,1-3H3
InChIKeyUFBVXQOJOHNDEH-UHFFFAOYSA-N
XLogP2.60
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylphenyl)-2-[methyl(oxan-4-yl)amino]ethanone?
The IUPAC name of 1-(2,4-dimethylphenyl)-2-[methyl(oxan-4-yl)amino]ethanone (CID 43797441) is 1-(2,4-dimethylphenyl)-2-[methyl(oxan-4-yl)amino]ethanone.
What is the SMILES notation for 1-(2,4-dimethylphenyl)-2-[methyl(oxan-4-yl)amino]ethanone?
The canonical SMILES for 1-(2,4-dimethylphenyl)-2-[methyl(oxan-4-yl)amino]ethanone is Cc1ccc(C(=O)CN(C)C2CCOCC2)c(C)c1.
What is the InChIKey of 1-(2,4-dimethylphenyl)-2-[methyl(oxan-4-yl)amino]ethanone?
The InChIKey is UFBVXQOJOHNDEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-12-4-5-15(13(2)10-12)16(18)11-17(3)14-6-8-19-9-7-14/h4-5,10,14H,6-9,11H2,1-3H3.
What are the key properties of 1-(2,4-dimethylphenyl)-2-[methyl(oxan-4-yl)amino]ethanone?
1-(2,4-dimethylphenyl)-2-[methyl(oxan-4-yl)amino]ethanone has a molecular weight of 261.37 g/mol, XLogP of 2.60, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylphenyl)-2-[methyl(oxan-4-yl)amino]ethanone is sourced from PubChem (CID 43797441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).