2-(diethylamino)-1-(2-ethoxynaphthalen-1-yl)ethanone

C18H23NO2 — CID 82051032

IUPAC2-(diethylamino)-1-(2-ethoxynaphthalen-1-yl)ethanone
SMILESCCOc1ccc2ccccc2c1C(=O)CN(CC)CC
InChIInChI=1S/C18H23NO2/c1-4-19(5-2)13-16(20)18-15-10-8-7-9-14(15)11-12-17(18)21-6-3/h7-12H,4-6,13H2,1-3H3
InChIKeySXTSVHWQOOQEBW-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.76
Rot. Bonds7

About 2-(diethylamino)-1-(2-ethoxynaphthalen-1-yl)ethanone

2-(diethylamino)-1-(2-ethoxynaphthalen-1-yl)ethanone (PubChem CID 82051032) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is 2-(diethylamino)-1-(2-ethoxynaphthalen-1-yl)ethanone.

Molecular Properties

Compound Name2-(diethylamino)-1-(2-ethoxynaphthalen-1-yl)ethanone
PubChem CID82051032
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Name2-(diethylamino)-1-(2-ethoxynaphthalen-1-yl)ethanone
SMILESCCOc1ccc2ccccc2c1C(=O)CN(CC)CC
InChIInChI=1S/C18H23NO2/c1-4-19(5-2)13-16(20)18-15-10-8-7-9-14(15)11-12-17(18)21-6-3/h7-12H,4-6,13H2,1-3H3
InChIKeySXTSVHWQOOQEBW-UHFFFAOYSA-N
XLogP3.76
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-ethoxynaphthalen-1-yl)-3-oxopropanoic acid
CID 170886868
methyl 4-(2-ethoxynaphthalen-1-yl)-4-oxobutanoate
CID 82550382
1-(2-propoxynaphthalen-1-yl)butan-1-one
CID 82263091
2-bromo-1-(2-butoxynaphthalen-1-yl)ethanone
CID 126570485
2-[2-[ethyl(methyl)amino]-2-oxoethoxy]naphthalene-1-carboxylic acid
CID 43505649
N-[(2S)-butan-2-yl]-2-ethoxynaphthalene-1-carboxamide
CID 9497386
2-ethoxy-N-(2-ethoxypyrimidin-5-yl)naphthalene-1-carboxamide
CID 122301952
2-ethoxy-N-(2-propan-2-ylphenyl)naphthalene-1-carboxamide
CID 9497351
(2-ethoxynaphthalen-1-yl)-(1,3-thiazolidin-3-yl)methanone
CID 122332035
[(1R)-1-pyridin-4-ylethyl] 2-ethoxynaphthalene-1-carboxylate
CID 11472701
methyl 2-decoxynaphthalene-1-carboxylate
CID 118870325
(2-ethoxynaphthalen-1-yl)-dimethylborane
CID 67978534

Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)-1-(2-ethoxynaphthalen-1-yl)ethanone?
The IUPAC name of 2-(diethylamino)-1-(2-ethoxynaphthalen-1-yl)ethanone (CID 82051032) is 2-(diethylamino)-1-(2-ethoxynaphthalen-1-yl)ethanone.
What is the SMILES notation for 2-(diethylamino)-1-(2-ethoxynaphthalen-1-yl)ethanone?
The canonical SMILES for 2-(diethylamino)-1-(2-ethoxynaphthalen-1-yl)ethanone is CCOc1ccc2ccccc2c1C(=O)CN(CC)CC.
What is the InChIKey of 2-(diethylamino)-1-(2-ethoxynaphthalen-1-yl)ethanone?
The InChIKey is SXTSVHWQOOQEBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-4-19(5-2)13-16(20)18-15-10-8-7-9-14(15)11-12-17(18)21-6-3/h7-12H,4-6,13H2,1-3H3.
What are the key properties of 2-(diethylamino)-1-(2-ethoxynaphthalen-1-yl)ethanone?
2-(diethylamino)-1-(2-ethoxynaphthalen-1-yl)ethanone has a molecular weight of 285.39 g/mol, XLogP of 3.76, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)-1-(2-ethoxynaphthalen-1-yl)ethanone is sourced from PubChem (CID 82051032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).