2-[ethyl(2-ethylbutyl)amino]-1-(3-methoxyphenyl)ethanone

C17H27NO2 — CID 61437442

IUPAC2-[ethyl(2-ethylbutyl)amino]-1-(3-methoxyphenyl)ethanone
SMILESCCC(CC)CN(CC)CC(=O)c1cccc(OC)c1
InChIInChI=1S/C17H27NO2/c1-5-14(6-2)12-18(7-3)13-17(19)15-9-8-10-16(11-15)20-4/h8-11,14H,5-7,12-13H2,1-4H3
InChIKeyDWFUUYCHHJVFBC-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.64
Rot. Bonds9

About 2-[ethyl(2-ethylbutyl)amino]-1-(3-methoxyphenyl)ethanone

2-[ethyl(2-ethylbutyl)amino]-1-(3-methoxyphenyl)ethanone (PubChem CID 61437442) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is 2-[ethyl(2-ethylbutyl)amino]-1-(3-methoxyphenyl)ethanone.

Molecular Properties

Compound Name2-[ethyl(2-ethylbutyl)amino]-1-(3-methoxyphenyl)ethanone
PubChem CID61437442
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name2-[ethyl(2-ethylbutyl)amino]-1-(3-methoxyphenyl)ethanone
SMILESCCC(CC)CN(CC)CC(=O)c1cccc(OC)c1
InChIInChI=1S/C17H27NO2/c1-5-14(6-2)12-18(7-3)13-17(19)15-9-8-10-16(11-15)20-4/h8-11,14H,5-7,12-13H2,1-4H3
InChIKeyDWFUUYCHHJVFBC-UHFFFAOYSA-N
XLogP3.64
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[ethyl(2-methoxyethyl)amino]-1-(3-methoxyphenyl)ethanone
CID 61446317
2-[butan-2-yl(ethyl)amino]-1-(3-methoxyphenyl)ethanone
CID 43795970
1-(3-methoxyphenyl)-2-[methyl(2-methylbutyl)amino]ethanone
CID 43796154
1-(3-methoxyphenyl)-2-[2-methylpropyl(pentan-3-yl)amino]ethanone
CID 79491164
2-[2-hydroxyethyl(propyl)amino]-1-(3-methoxyphenyl)ethanone
CID 62050940
1-(3-methoxyphenyl)-2-[propan-2-yl(propyl)amino]ethanone
CID 43795420
1-(3-methoxyphenyl)propan-1-one;propane
CID 142960525
1-(2,6-difluorophenyl)-2-[ethyl(2-ethylbutyl)amino]ethanone
CID 61437544
2-hydroxy-1-(3-methoxyphenyl)ethanone
CID 23505111
2-[butan-2-yl-(3-methoxybenzoyl)amino]acetic acid
CID 54925820
2-[[2-(3-methoxyphenyl)-2-oxoethyl]-propan-2-ylamino]acetamide
CID 60680137
2-[ethyl(2-methylpropyl)amino]-1-(3-fluorophenyl)ethanone
CID 43795891

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(2-ethylbutyl)amino]-1-(3-methoxyphenyl)ethanone?
The IUPAC name of 2-[ethyl(2-ethylbutyl)amino]-1-(3-methoxyphenyl)ethanone (CID 61437442) is 2-[ethyl(2-ethylbutyl)amino]-1-(3-methoxyphenyl)ethanone.
What is the SMILES notation for 2-[ethyl(2-ethylbutyl)amino]-1-(3-methoxyphenyl)ethanone?
The canonical SMILES for 2-[ethyl(2-ethylbutyl)amino]-1-(3-methoxyphenyl)ethanone is CCC(CC)CN(CC)CC(=O)c1cccc(OC)c1.
What is the InChIKey of 2-[ethyl(2-ethylbutyl)amino]-1-(3-methoxyphenyl)ethanone?
The InChIKey is DWFUUYCHHJVFBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-5-14(6-2)12-18(7-3)13-17(19)15-9-8-10-16(11-15)20-4/h8-11,14H,5-7,12-13H2,1-4H3.
What are the key properties of 2-[ethyl(2-ethylbutyl)amino]-1-(3-methoxyphenyl)ethanone?
2-[ethyl(2-ethylbutyl)amino]-1-(3-methoxyphenyl)ethanone has a molecular weight of 277.41 g/mol, XLogP of 3.64, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(2-ethylbutyl)amino]-1-(3-methoxyphenyl)ethanone is sourced from PubChem (CID 61437442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).