2-(2-azulen-1-yl-2-oxoethoxy)-N,N-diethylacetamide

C18H21NO3 — CID 72712318

IUPAC2-(2-azulen-1-yl-2-oxoethoxy)-N,N-diethylacetamide
SMILESCCN(CC)C(=O)COCC(=O)c1ccc2cccccc1-2
InChIInChI=1S/C18H21NO3/c1-3-19(4-2)18(21)13-22-12-17(20)16-11-10-14-8-6-5-7-9-15(14)16/h5-11H,3-4,12-13H2,1-2H3
InChIKeyAYUACJUFRSQIOX-UHFFFAOYSA-N
MW299.37 g/mol
LogP2.86
Rot. Bonds7

About 2-(2-azulen-1-yl-2-oxoethoxy)-N,N-diethylacetamide

2-(2-azulen-1-yl-2-oxoethoxy)-N,N-diethylacetamide (PubChem CID 72712318) has the molecular formula C18H21NO3 and a molecular weight of 299.37 g/mol. Its IUPAC name is 2-(2-azulen-1-yl-2-oxoethoxy)-N,N-diethylacetamide.

Molecular Properties

Compound Name2-(2-azulen-1-yl-2-oxoethoxy)-N,N-diethylacetamide
PubChem CID72712318
Molecular FormulaC18H21NO3
Molecular Weight299.37 g/mol
Exact Mass299.15
IUPAC Name2-(2-azulen-1-yl-2-oxoethoxy)-N,N-diethylacetamide
SMILESCCN(CC)C(=O)COCC(=O)c1ccc2cccccc1-2
InChIInChI=1S/C18H21NO3/c1-3-19(4-2)18(21)13-22-12-17(20)16-11-10-14-8-6-5-7-9-15(14)16/h5-11H,3-4,12-13H2,1-2H3
InChIKeyAYUACJUFRSQIOX-UHFFFAOYSA-N
XLogP2.86
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-diethyl-2-[2-oxo-2-(N-phenylanilino)ethoxy]acetamide
CID 51362044
2-[2-(diethylamino)-2-oxoethoxy]-N,N-diethylacetamide
CID 12729092
N,N-diethyl-2-(4-phenylphenyl)acetamide
CID 52895246
1-(2,4-diphenylphenyl)propan-1-one
CID 151246876
N,N-diethyl-5-(4-methylphenyl)-2-phenylbenzamide
CID 71079379
N-ethyl-2-[2-(N-ethylanilino)-2-oxoethoxy]-N-phenylacetamide
CID 52563694
1-[2-(4-methylphenyl)phenyl]propan-1-one
CID 67873243
2-(2-ethoxyphenoxy)-N,N-diethylacetamide
CID 60625239
azulene-1-carbohydrazide
CID 45118106
2-methyl-4-oxo-4-(2-phenylphenyl)butanoic acid
CID 70461221
ethyl 2-(4-methylphenyl)benzoate
CID 10922668
[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl] 2-methyl-6-phenylpyridine-3-carboxylate
CID 55473455

Frequently Asked Questions

What is the IUPAC name of 2-(2-azulen-1-yl-2-oxoethoxy)-N,N-diethylacetamide?
The IUPAC name of 2-(2-azulen-1-yl-2-oxoethoxy)-N,N-diethylacetamide (CID 72712318) is 2-(2-azulen-1-yl-2-oxoethoxy)-N,N-diethylacetamide.
What is the SMILES notation for 2-(2-azulen-1-yl-2-oxoethoxy)-N,N-diethylacetamide?
The canonical SMILES for 2-(2-azulen-1-yl-2-oxoethoxy)-N,N-diethylacetamide is CCN(CC)C(=O)COCC(=O)c1ccc2cccccc1-2.
What is the InChIKey of 2-(2-azulen-1-yl-2-oxoethoxy)-N,N-diethylacetamide?
The InChIKey is AYUACJUFRSQIOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO3/c1-3-19(4-2)18(21)13-22-12-17(20)16-11-10-14-8-6-5-7-9-15(14)16/h5-11H,3-4,12-13H2,1-2H3.
What are the key properties of 2-(2-azulen-1-yl-2-oxoethoxy)-N,N-diethylacetamide?
2-(2-azulen-1-yl-2-oxoethoxy)-N,N-diethylacetamide has a molecular weight of 299.37 g/mol, XLogP of 2.86, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-azulen-1-yl-2-oxoethoxy)-N,N-diethylacetamide is sourced from PubChem (CID 72712318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).