N-ethyl-2-[4-(3-oxobutyl)phenoxy]acetamide

C14H19NO3 — CID 24701129

IUPACN-ethyl-2-[4-(3-oxobutyl)phenoxy]acetamide
SMILESCCNC(=O)COc1ccc(CCC(C)=O)cc1
InChIInChI=1S/C14H19NO3/c1-3-15-14(17)10-18-13-8-6-12(7-9-13)5-4-11(2)16/h6-9H,3-5,10H2,1-2H3,(H,15,17)
InChIKeyWQILBZLFDVMJQR-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.72
Rot. Bonds7

About N-ethyl-2-[4-(3-oxobutyl)phenoxy]acetamide

N-ethyl-2-[4-(3-oxobutyl)phenoxy]acetamide (PubChem CID 24701129) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is N-ethyl-2-[4-(3-oxobutyl)phenoxy]acetamide.

Molecular Properties

Compound NameN-ethyl-2-[4-(3-oxobutyl)phenoxy]acetamide
PubChem CID24701129
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC NameN-ethyl-2-[4-(3-oxobutyl)phenoxy]acetamide
SMILESCCNC(=O)COc1ccc(CCC(C)=O)cc1
InChIInChI=1S/C14H19NO3/c1-3-15-14(17)10-18-13-8-6-12(7-9-13)5-4-11(2)16/h6-9H,3-5,10H2,1-2H3,(H,15,17)
InChIKeyWQILBZLFDVMJQR-UHFFFAOYSA-N
XLogP1.72
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(3-oxobutyl)phenoxy]pentan-2-one
CID 62042090
N-(2,6-diethylphenyl)-2-[4-(3-oxobutyl)phenoxy]acetamide
CID 7643132
4-[4-(2-methylprop-2-enoxy)phenyl]butan-2-one
CID 24695398
N-[(3,4-dimethoxyphenyl)methyl]-2-[4-(3-oxobutyl)phenoxy]acetamide
CID 2568679
2-[4-(cyanomethyl)phenoxy]-N-ethylacetamide
CID 24702557
2-[4-[4-(aminomethyl)phenyl]phenoxy]-N-ethylacetamide
CID 43366447
N-(2-chlorophenyl)-2-[4-(3-oxobutyl)phenoxy]acetamide
CID 7643095
2-[4-(3-oxobutyl)phenoxy]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 7643070
4-(4-pentoxyphenyl)butan-2-one
CID 19885189
N-(2,5-dimethoxyphenyl)-2-[4-(3-oxobutyl)phenoxy]acetamide
CID 7643093
N-ethyl-2-[4-[(1R)-1-hydroxyethyl]phenoxy]acetamide
CID 63364320
4-[4-(3-oxobutyl)phenoxy]butanehydrazide
CID 63577003

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[4-(3-oxobutyl)phenoxy]acetamide?
The IUPAC name of N-ethyl-2-[4-(3-oxobutyl)phenoxy]acetamide (CID 24701129) is N-ethyl-2-[4-(3-oxobutyl)phenoxy]acetamide.
What is the SMILES notation for N-ethyl-2-[4-(3-oxobutyl)phenoxy]acetamide?
The canonical SMILES for N-ethyl-2-[4-(3-oxobutyl)phenoxy]acetamide is CCNC(=O)COc1ccc(CCC(C)=O)cc1.
What is the InChIKey of N-ethyl-2-[4-(3-oxobutyl)phenoxy]acetamide?
The InChIKey is WQILBZLFDVMJQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-3-15-14(17)10-18-13-8-6-12(7-9-13)5-4-11(2)16/h6-9H,3-5,10H2,1-2H3,(H,15,17).
What are the key properties of N-ethyl-2-[4-(3-oxobutyl)phenoxy]acetamide?
N-ethyl-2-[4-(3-oxobutyl)phenoxy]acetamide has a molecular weight of 249.31 g/mol, XLogP of 1.72, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[4-(3-oxobutyl)phenoxy]acetamide is sourced from PubChem (CID 24701129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).