N-butan-2-yl-2-(2-ethylphenoxy)-N-methylacetamide

C15H23NO2 — CID 78853919

IUPACN-butan-2-yl-2-(2-ethylphenoxy)-N-methylacetamide
SMILESCCc1ccccc1OCC(=O)N(C)C(C)CC
InChIInChI=1S/C15H23NO2/c1-5-12(3)16(4)15(17)11-18-14-10-8-7-9-13(14)6-2/h7-10,12H,5-6,11H2,1-4H3
InChIKeyDEOYCVIOSZBGTH-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.88
Rot. Bonds6

About N-butan-2-yl-2-(2-ethylphenoxy)-N-methylacetamide

N-butan-2-yl-2-(2-ethylphenoxy)-N-methylacetamide (PubChem CID 78853919) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is N-butan-2-yl-2-(2-ethylphenoxy)-N-methylacetamide.

Molecular Properties

Compound NameN-butan-2-yl-2-(2-ethylphenoxy)-N-methylacetamide
PubChem CID78853919
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC NameN-butan-2-yl-2-(2-ethylphenoxy)-N-methylacetamide
SMILESCCc1ccccc1OCC(=O)N(C)C(C)CC
InChIInChI=1S/C15H23NO2/c1-5-12(3)16(4)15(17)11-18-14-10-8-7-9-13(14)6-2/h7-10,12H,5-6,11H2,1-4H3
InChIKeyDEOYCVIOSZBGTH-UHFFFAOYSA-N
XLogP2.88
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-ethylphenoxy)-N-methylacetohydrazide
CID 116820495
2-(2-ethoxyphenoxy)-N-(1-hydroxypropan-2-yl)-N-methylacetamide
CID 112704674
2-[2-[(tert-butylamino)methyl]phenoxy]-N-methyl-N-propan-2-ylacetamide
CID 63063750
N-(1-aminopropan-2-yl)-2-(2-chlorophenoxy)-N-methylacetamide;hydrochloride
CID 119583328
N-[(4-chlorophenyl)methyl]-2-(2-ethylphenoxy)-N-methylacetamide
CID 112778951
2-(2-ethylphenoxy)-N-methyl-N-piperidin-4-ylacetamide
CID 119441590
2-[2-(aminomethyl)phenoxy]-N-[1-(dimethylamino)propan-2-yl]-N-ethylacetamide
CID 103187433
2-(2-ethylphenoxy)-1-(4-propan-2-ylphenyl)ethanone
CID 43412435
N,N-diethyl-2-[2-[(propan-2-ylamino)methyl]phenoxy]acetamide
CID 43277363
2-(2-ethylphenoxy)-N-[1-(2-methoxyphenyl)ethyl]acetamide
CID 51144695
2-[2-(aminomethyl)phenoxy]-N,N-diethylacetamide
CID 16771866
N-ethyl-N-[2-(2-ethylphenoxy)ethyl]butan-2-amine
CID 123572805

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-(2-ethylphenoxy)-N-methylacetamide?
The IUPAC name of N-butan-2-yl-2-(2-ethylphenoxy)-N-methylacetamide (CID 78853919) is N-butan-2-yl-2-(2-ethylphenoxy)-N-methylacetamide.
What is the SMILES notation for N-butan-2-yl-2-(2-ethylphenoxy)-N-methylacetamide?
The canonical SMILES for N-butan-2-yl-2-(2-ethylphenoxy)-N-methylacetamide is CCc1ccccc1OCC(=O)N(C)C(C)CC.
What is the InChIKey of N-butan-2-yl-2-(2-ethylphenoxy)-N-methylacetamide?
The InChIKey is DEOYCVIOSZBGTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-5-12(3)16(4)15(17)11-18-14-10-8-7-9-13(14)6-2/h7-10,12H,5-6,11H2,1-4H3.
What are the key properties of N-butan-2-yl-2-(2-ethylphenoxy)-N-methylacetamide?
N-butan-2-yl-2-(2-ethylphenoxy)-N-methylacetamide has a molecular weight of 249.35 g/mol, XLogP of 2.88, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-(2-ethylphenoxy)-N-methylacetamide is sourced from PubChem (CID 78853919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).