2-(dibutylamino)-1-(2-ethoxyphenyl)ethanone

C18H29NO2 — CID 43794795

IUPAC2-(dibutylamino)-1-(2-ethoxyphenyl)ethanone
SMILESCCCCN(CCCC)CC(=O)c1ccccc1OCC
InChIInChI=1S/C18H29NO2/c1-4-7-13-19(14-8-5-2)15-17(20)16-11-9-10-12-18(16)21-6-3/h9-12H,4-8,13-15H2,1-3H3
InChIKeyVSFUNKUNNDXEGP-UHFFFAOYSA-N
MW291.44 g/mol
LogP4.17
Rot. Bonds11

About 2-(dibutylamino)-1-(2-ethoxyphenyl)ethanone

2-(dibutylamino)-1-(2-ethoxyphenyl)ethanone (PubChem CID 43794795) has the molecular formula C18H29NO2 and a molecular weight of 291.44 g/mol. Its IUPAC name is 2-(dibutylamino)-1-(2-ethoxyphenyl)ethanone.

Molecular Properties

Compound Name2-(dibutylamino)-1-(2-ethoxyphenyl)ethanone
PubChem CID43794795
Molecular FormulaC18H29NO2
Molecular Weight291.44 g/mol
Exact Mass291.22
IUPAC Name2-(dibutylamino)-1-(2-ethoxyphenyl)ethanone
SMILESCCCCN(CCCC)CC(=O)c1ccccc1OCC
InChIInChI=1S/C18H29NO2/c1-4-7-13-19(14-8-5-2)15-17(20)16-11-9-10-12-18(16)21-6-3/h9-12H,4-8,13-15H2,1-3H3
InChIKeyVSFUNKUNNDXEGP-UHFFFAOYSA-N
XLogP4.17
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-ethoxyphenyl)-2-[methyl(pentyl)amino]ethanone
CID 43796047
ethane;1-(2-ethoxyphenyl)propan-1-one
CID 145111899
N-(2-bromoethyl)-N-butyl-2-ethoxybenzamide
CID 80659573
3-(dimethylamino)-1-(2-ethoxyphenyl)propan-1-one
CID 115345793
2-[butyl(ethyl)amino]-1-(2-chlorophenyl)ethanone
CID 43219892
1-(2-ethoxyphenyl)-2-[methyl(3-methylbutan-2-yl)amino]ethanone
CID 43796755
2-[[butyl(ethyl)amino]methoxy]benzoic acid
CID 22685507
2-[[2-(2-ethoxyphenyl)-2-oxoethyl]-methylamino]-N-methylacetamide
CID 62051399
1-(2-ethoxyphenyl)-2-(hexylamino)ethanone
CID 82102192
3-(2-ethoxyphenyl)-3-oxopropanoic acid
CID 170886850
1-(2-ethoxyphenyl)pentane-1,3-dione
CID 28896176
3-(2-ethoxyphenyl)-3-oxopropanamide
CID 76851157

Frequently Asked Questions

What is the IUPAC name of 2-(dibutylamino)-1-(2-ethoxyphenyl)ethanone?
The IUPAC name of 2-(dibutylamino)-1-(2-ethoxyphenyl)ethanone (CID 43794795) is 2-(dibutylamino)-1-(2-ethoxyphenyl)ethanone.
What is the SMILES notation for 2-(dibutylamino)-1-(2-ethoxyphenyl)ethanone?
The canonical SMILES for 2-(dibutylamino)-1-(2-ethoxyphenyl)ethanone is CCCCN(CCCC)CC(=O)c1ccccc1OCC.
What is the InChIKey of 2-(dibutylamino)-1-(2-ethoxyphenyl)ethanone?
The InChIKey is VSFUNKUNNDXEGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2/c1-4-7-13-19(14-8-5-2)15-17(20)16-11-9-10-12-18(16)21-6-3/h9-12H,4-8,13-15H2,1-3H3.
What are the key properties of 2-(dibutylamino)-1-(2-ethoxyphenyl)ethanone?
2-(dibutylamino)-1-(2-ethoxyphenyl)ethanone has a molecular weight of 291.44 g/mol, XLogP of 4.17, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dibutylamino)-1-(2-ethoxyphenyl)ethanone is sourced from PubChem (CID 43794795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).