2-[2-ethoxy-4-(1-ethylimidazol-2-yl)phenoxy]-N,N-diethylacetamide

C19H27N3O3 — CID 110536164

IUPAC2-[2-ethoxy-4-(1-ethylimidazol-2-yl)phenoxy]-N,N-diethylacetamide
SMILESCCOc1cc(-c2nccn2CC)ccc1OCC(=O)N(CC)CC
InChIInChI=1S/C19H27N3O3/c1-5-21(6-2)18(23)14-25-16-10-9-15(13-17(16)24-8-4)19-20-11-12-22(19)7-3/h9-13H,5-8,14H2,1-4H3
InChIKeyJKSHLZSPZJRKCP-UHFFFAOYSA-N
MW345.44 g/mol
LogP3.22
Rot. Bonds9

About 2-[2-ethoxy-4-(1-ethylimidazol-2-yl)phenoxy]-N,N-diethylacetamide

2-[2-ethoxy-4-(1-ethylimidazol-2-yl)phenoxy]-N,N-diethylacetamide (PubChem CID 110536164) has the molecular formula C19H27N3O3 and a molecular weight of 345.44 g/mol. Its IUPAC name is 2-[2-ethoxy-4-(1-ethylimidazol-2-yl)phenoxy]-N,N-diethylacetamide.

Molecular Properties

Compound Name2-[2-ethoxy-4-(1-ethylimidazol-2-yl)phenoxy]-N,N-diethylacetamide
PubChem CID110536164
Molecular FormulaC19H27N3O3
Molecular Weight345.44 g/mol
Exact Mass345.21
IUPAC Name2-[2-ethoxy-4-(1-ethylimidazol-2-yl)phenoxy]-N,N-diethylacetamide
SMILESCCOc1cc(-c2nccn2CC)ccc1OCC(=O)N(CC)CC
InChIInChI=1S/C19H27N3O3/c1-5-21(6-2)18(23)14-25-16-10-9-15(13-17(16)24-8-4)19-20-11-12-22(19)7-3/h9-13H,5-8,14H2,1-4H3
InChIKeyJKSHLZSPZJRKCP-UHFFFAOYSA-N
XLogP3.22
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-ethoxyphenoxy)-N,N-diethylacetamide
CID 60625239
2-[2-ethoxy-4-(5-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)phenoxy]-N,N-diethylacetamide
CID 110532395
2-[2-ethoxy-4-(1,4,5-triazatricyclo[5.2.2.02,6]undeca-2(6),3-dien-3-yl)phenoxy]-N,N-diethylacetamide
CID 110532508
N,N-diethyl-2-(2-methoxy-4-methylphenoxy)acetamide
CID 60626763
2-bromo-4-(1-ethylimidazol-2-yl)phenol
CID 136822357
N,N-diethyl-2-[2-[(1R)-1-hydroxyethyl]-5-methylphenoxy]acetamide
CID 78947011
N,N-diethyl-2-(2,4,5-trimethylphenoxy)acetamide
CID 112978059
2-(2,5-dimethylphenoxy)-N,N-diethylacetamide
CID 920931
N,N-diethyl-2-(4-ethyl-2-methoxyphenoxy)acetamide
CID 154118386
2-[2-(1-aminoethyl)-4-methylphenoxy]-N,N-diethylacetamide
CID 43505060
2-[2-ethoxy-4-[(E)-[(4-fluorophenyl)hydrazinylidene]methyl]phenoxy]-N,N-diethylacetamide
CID 110506196
2-[2-ethoxy-4-[(Z)-(3-methylsulfanyl-5-propan-2-yl-1,2,4-triazol-4-yl)iminomethyl]phenoxy]-N,N-diethylacetamide
CID 110521907

Frequently Asked Questions

What is the IUPAC name of 2-[2-ethoxy-4-(1-ethylimidazol-2-yl)phenoxy]-N,N-diethylacetamide?
The IUPAC name of 2-[2-ethoxy-4-(1-ethylimidazol-2-yl)phenoxy]-N,N-diethylacetamide (CID 110536164) is 2-[2-ethoxy-4-(1-ethylimidazol-2-yl)phenoxy]-N,N-diethylacetamide.
What is the SMILES notation for 2-[2-ethoxy-4-(1-ethylimidazol-2-yl)phenoxy]-N,N-diethylacetamide?
The canonical SMILES for 2-[2-ethoxy-4-(1-ethylimidazol-2-yl)phenoxy]-N,N-diethylacetamide is CCOc1cc(-c2nccn2CC)ccc1OCC(=O)N(CC)CC.
What is the InChIKey of 2-[2-ethoxy-4-(1-ethylimidazol-2-yl)phenoxy]-N,N-diethylacetamide?
The InChIKey is JKSHLZSPZJRKCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O3/c1-5-21(6-2)18(23)14-25-16-10-9-15(13-17(16)24-8-4)19-20-11-12-22(19)7-3/h9-13H,5-8,14H2,1-4H3.
What are the key properties of 2-[2-ethoxy-4-(1-ethylimidazol-2-yl)phenoxy]-N,N-diethylacetamide?
2-[2-ethoxy-4-(1-ethylimidazol-2-yl)phenoxy]-N,N-diethylacetamide has a molecular weight of 345.44 g/mol, XLogP of 3.22, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-ethoxy-4-(1-ethylimidazol-2-yl)phenoxy]-N,N-diethylacetamide is sourced from PubChem (CID 110536164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).