1-(2-ethoxyphenyl)-2-[methyl(pentyl)amino]ethanone

C16H25NO2 — CID 43796047

IUPAC1-(2-ethoxyphenyl)-2-[methyl(pentyl)amino]ethanone
SMILESCCCCCN(C)CC(=O)c1ccccc1OCC
InChIInChI=1S/C16H25NO2/c1-4-6-9-12-17(3)13-15(18)14-10-7-8-11-16(14)19-5-2/h7-8,10-11H,4-6,9,12-13H2,1-3H3
InChIKeyPFYXPTMNWHTVHH-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.39
Rot. Bonds9

About 1-(2-ethoxyphenyl)-2-[methyl(pentyl)amino]ethanone

1-(2-ethoxyphenyl)-2-[methyl(pentyl)amino]ethanone (PubChem CID 43796047) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 1-(2-ethoxyphenyl)-2-[methyl(pentyl)amino]ethanone.

Molecular Properties

Compound Name1-(2-ethoxyphenyl)-2-[methyl(pentyl)amino]ethanone
PubChem CID43796047
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name1-(2-ethoxyphenyl)-2-[methyl(pentyl)amino]ethanone
SMILESCCCCCN(C)CC(=O)c1ccccc1OCC
InChIInChI=1S/C16H25NO2/c1-4-6-9-12-17(3)13-15(18)14-10-7-8-11-16(14)19-5-2/h7-8,10-11H,4-6,9,12-13H2,1-3H3
InChIKeyPFYXPTMNWHTVHH-UHFFFAOYSA-N
XLogP3.39
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(dibutylamino)-1-(2-ethoxyphenyl)ethanone
CID 43794795
2-[[2-(2-ethoxyphenyl)-2-oxoethyl]-methylamino]-N-methylacetamide
CID 62051399
3-(dimethylamino)-1-(2-ethoxyphenyl)propan-1-one
CID 115345793
1-(2-ethoxyphenyl)-2-[methyl(3-methylbutan-2-yl)amino]ethanone
CID 43796755
2-[2-ethoxyethyl(methyl)amino]-1-(2-methoxyphenyl)ethanone
CID 81058182
1-(2-ethoxyphenyl)-2-(hexylamino)ethanone
CID 82102192
ethane;1-(2-ethoxyphenyl)propan-1-one
CID 145111899
2-[[butyl(methyl)amino]methoxy]benzamide
CID 39255586
2-[(5-bromothiophen-3-yl)methyl-methylamino]-1-(2-ethoxyphenyl)ethanone
CID 62037739
3-(2-ethoxyphenyl)-3-oxopropanoic acid
CID 170886850
N-(2-bromoethyl)-N-butyl-2-ethoxybenzamide
CID 80659573
3-(2-ethoxyphenyl)-3-oxopropanamide
CID 76851157

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyphenyl)-2-[methyl(pentyl)amino]ethanone?
The IUPAC name of 1-(2-ethoxyphenyl)-2-[methyl(pentyl)amino]ethanone (CID 43796047) is 1-(2-ethoxyphenyl)-2-[methyl(pentyl)amino]ethanone.
What is the SMILES notation for 1-(2-ethoxyphenyl)-2-[methyl(pentyl)amino]ethanone?
The canonical SMILES for 1-(2-ethoxyphenyl)-2-[methyl(pentyl)amino]ethanone is CCCCCN(C)CC(=O)c1ccccc1OCC.
What is the InChIKey of 1-(2-ethoxyphenyl)-2-[methyl(pentyl)amino]ethanone?
The InChIKey is PFYXPTMNWHTVHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-4-6-9-12-17(3)13-15(18)14-10-7-8-11-16(14)19-5-2/h7-8,10-11H,4-6,9,12-13H2,1-3H3.
What are the key properties of 1-(2-ethoxyphenyl)-2-[methyl(pentyl)amino]ethanone?
1-(2-ethoxyphenyl)-2-[methyl(pentyl)amino]ethanone has a molecular weight of 263.38 g/mol, XLogP of 3.39, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyphenyl)-2-[methyl(pentyl)amino]ethanone is sourced from PubChem (CID 43796047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).