1-(4-ethylphenyl)-2-[methyl-(2-methyloxolan-3-yl)amino]ethanone

C16H23NO2 — CID 82742550

IUPAC1-(4-ethylphenyl)-2-[methyl-(2-methyloxolan-3-yl)amino]ethanone
SMILESCCc1ccc(C(=O)CN(C)C2CCOC2C)cc1
InChIInChI=1S/C16H23NO2/c1-4-13-5-7-14(8-6-13)16(18)11-17(3)15-9-10-19-12(15)2/h5-8,12,15H,4,9-11H2,1-3H3
InChIKeyHVWBVEKLPCAMMA-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.54
Rot. Bonds5

About 1-(4-ethylphenyl)-2-[methyl-(2-methyloxolan-3-yl)amino]ethanone

1-(4-ethylphenyl)-2-[methyl-(2-methyloxolan-3-yl)amino]ethanone (PubChem CID 82742550) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is 1-(4-ethylphenyl)-2-[methyl-(2-methyloxolan-3-yl)amino]ethanone.

Molecular Properties

Compound Name1-(4-ethylphenyl)-2-[methyl-(2-methyloxolan-3-yl)amino]ethanone
PubChem CID82742550
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Name1-(4-ethylphenyl)-2-[methyl-(2-methyloxolan-3-yl)amino]ethanone
SMILESCCc1ccc(C(=O)CN(C)C2CCOC2C)cc1
InChIInChI=1S/C16H23NO2/c1-4-13-5-7-14(8-6-13)16(18)11-17(3)15-9-10-19-12(15)2/h5-8,12,15H,4,9-11H2,1-3H3
InChIKeyHVWBVEKLPCAMMA-UHFFFAOYSA-N
XLogP2.54
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-ethylthiophen-2-yl)-2-[methyl-(2-methyloxolan-3-yl)amino]ethanone
CID 82742156
1-(2-chlorophenyl)-2-[methyl-(2-methyloxolan-3-yl)amino]ethanone
CID 82742948
1-(2,5-dimethylthiophen-3-yl)-2-[methyl-(2-methyloxolan-3-yl)amino]ethanone
CID 82743027
3-methyl-1-[methyl-(2-methyloxolan-3-yl)amino]butan-2-one
CID 82742069
2-[cyclopropyl(propyl)amino]-1-(4-ethylphenyl)ethanone
CID 43795468
3-[[methyl-(2-methyloxolan-3-yl)amino]methyl]benzoic acid
CID 82739387
[4-[[methyl-(2-methyloxolan-3-yl)amino]methyl]phenyl]boronic acid
CID 82748282
2-[2-(dimethylamino)ethyl-methylamino]-1-(4-ethylphenyl)ethanone
CID 63699353
1-(4-ethylphenyl)-2-[2-hydroxyethyl(methyl)amino]ethanone
CID 60649844
3-[methyl-(2-methyloxolan-3-yl)amino]propanoic acid
CID 82719112
potassium trifluoro-[3-[methyl-(2-methyloxolan-3-yl)amino]prop-1-en-2-yl]boranuide
CID 106746211
N-(2-amino-4-fluorophenyl)-2-[methyl-(2-methyloxolan-3-yl)amino]acetamide
CID 82732986

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)-2-[methyl-(2-methyloxolan-3-yl)amino]ethanone?
The IUPAC name of 1-(4-ethylphenyl)-2-[methyl-(2-methyloxolan-3-yl)amino]ethanone (CID 82742550) is 1-(4-ethylphenyl)-2-[methyl-(2-methyloxolan-3-yl)amino]ethanone.
What is the SMILES notation for 1-(4-ethylphenyl)-2-[methyl-(2-methyloxolan-3-yl)amino]ethanone?
The canonical SMILES for 1-(4-ethylphenyl)-2-[methyl-(2-methyloxolan-3-yl)amino]ethanone is CCc1ccc(C(=O)CN(C)C2CCOC2C)cc1.
What is the InChIKey of 1-(4-ethylphenyl)-2-[methyl-(2-methyloxolan-3-yl)amino]ethanone?
The InChIKey is HVWBVEKLPCAMMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-4-13-5-7-14(8-6-13)16(18)11-17(3)15-9-10-19-12(15)2/h5-8,12,15H,4,9-11H2,1-3H3.
What are the key properties of 1-(4-ethylphenyl)-2-[methyl-(2-methyloxolan-3-yl)amino]ethanone?
1-(4-ethylphenyl)-2-[methyl-(2-methyloxolan-3-yl)amino]ethanone has a molecular weight of 261.37 g/mol, XLogP of 2.54, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)-2-[methyl-(2-methyloxolan-3-yl)amino]ethanone is sourced from PubChem (CID 82742550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).