N,N-diethyl-2-(2,4,5-trimethylphenoxy)acetamide

C15H23NO2 — CID 112978059

IUPACN,N-diethyl-2-(2,4,5-trimethylphenoxy)acetamide
SMILESCCN(CC)C(=O)COc1cc(C)c(C)cc1C
InChIInChI=1S/C15H23NO2/c1-6-16(7-2)15(17)10-18-14-9-12(4)11(3)8-13(14)5/h8-9H,6-7,10H2,1-5H3
InChIKeyKOLXXAANIOJGPX-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.86
Rot. Bonds5

About N,N-diethyl-2-(2,4,5-trimethylphenoxy)acetamide

N,N-diethyl-2-(2,4,5-trimethylphenoxy)acetamide (PubChem CID 112978059) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is N,N-diethyl-2-(2,4,5-trimethylphenoxy)acetamide.

Molecular Properties

Compound NameN,N-diethyl-2-(2,4,5-trimethylphenoxy)acetamide
PubChem CID112978059
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC NameN,N-diethyl-2-(2,4,5-trimethylphenoxy)acetamide
SMILESCCN(CC)C(=O)COc1cc(C)c(C)cc1C
InChIInChI=1S/C15H23NO2/c1-6-16(7-2)15(17)10-18-14-9-12(4)11(3)8-13(14)5/h8-9H,6-7,10H2,1-5H3
InChIKeyKOLXXAANIOJGPX-UHFFFAOYSA-N
XLogP2.86
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,5-dimethylphenoxy)-N,N-diethylacetamide
CID 920931
N,N-diethyl-2-(5-fluoro-2-methylphenoxy)acetamide
CID 102975425
N,N-diethyl-2-(2-methoxy-4-methylphenoxy)acetamide
CID 60626763
2-(2-ethoxyphenoxy)-N,N-diethylacetamide
CID 60625239
N,N-diethyl-2-(4-ethyl-2-methoxyphenoxy)acetamide
CID 154118386
methyl 2-[[2-(2,5-dimethylphenoxy)acetyl]-ethylamino]acetate
CID 61383302
N,N-diethyl-2-[2-[(1R)-1-hydroxyethyl]-5-methylphenoxy]acetamide
CID 78947011
2-(4-amino-3-methylphenoxy)-N,N-diethylacetamide
CID 16772841
N,N-diethyl-2-(2-fluorophenoxy)acetamide
CID 2178411
2-(4-carbamothioyl-2-methoxyphenoxy)-N,N-diethylacetamide
CID 24690581
2-[2-(1-aminoethyl)-4-methylphenoxy]-N,N-diethylacetamide
CID 43505060
2-[4-[2-(diethylamino)-2-oxoethoxy]-3-methoxyphenyl]acetic acid
CID 879607

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-(2,4,5-trimethylphenoxy)acetamide?
The IUPAC name of N,N-diethyl-2-(2,4,5-trimethylphenoxy)acetamide (CID 112978059) is N,N-diethyl-2-(2,4,5-trimethylphenoxy)acetamide.
What is the SMILES notation for N,N-diethyl-2-(2,4,5-trimethylphenoxy)acetamide?
The canonical SMILES for N,N-diethyl-2-(2,4,5-trimethylphenoxy)acetamide is CCN(CC)C(=O)COc1cc(C)c(C)cc1C.
What is the InChIKey of N,N-diethyl-2-(2,4,5-trimethylphenoxy)acetamide?
The InChIKey is KOLXXAANIOJGPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-6-16(7-2)15(17)10-18-14-9-12(4)11(3)8-13(14)5/h8-9H,6-7,10H2,1-5H3.
What are the key properties of N,N-diethyl-2-(2,4,5-trimethylphenoxy)acetamide?
N,N-diethyl-2-(2,4,5-trimethylphenoxy)acetamide has a molecular weight of 249.35 g/mol, XLogP of 2.86, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-(2,4,5-trimethylphenoxy)acetamide is sourced from PubChem (CID 112978059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).