4-methyl-2-[2-(3-methylbutan-2-ylamino)-2-oxoethoxy]benzamide

C15H22N2O3 — CID 46681501

IUPAC4-methyl-2-[2-(3-methylbutan-2-ylamino)-2-oxoethoxy]benzamide
SMILESCc1ccc(C(N)=O)c(OCC(=O)NC(C)C(C)C)c1
InChIInChI=1S/C15H22N2O3/c1-9(2)11(4)17-14(18)8-20-13-7-10(3)5-6-12(13)15(16)19/h5-7,9,11H,8H2,1-4H3,(H2,16,19)(H,17,18)
InChIKeyWYQBMLLECYVEMY-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.63
Rot. Bonds6

About 4-methyl-2-[2-(3-methylbutan-2-ylamino)-2-oxoethoxy]benzamide

4-methyl-2-[2-(3-methylbutan-2-ylamino)-2-oxoethoxy]benzamide (PubChem CID 46681501) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 4-methyl-2-[2-(3-methylbutan-2-ylamino)-2-oxoethoxy]benzamide.

Molecular Properties

Compound Name4-methyl-2-[2-(3-methylbutan-2-ylamino)-2-oxoethoxy]benzamide
PubChem CID46681501
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name4-methyl-2-[2-(3-methylbutan-2-ylamino)-2-oxoethoxy]benzamide
SMILESCc1ccc(C(N)=O)c(OCC(=O)NC(C)C(C)C)c1
InChIInChI=1S/C15H22N2O3/c1-9(2)11(4)17-14(18)8-20-13-7-10(3)5-6-12(13)15(16)19/h5-7,9,11H,8H2,1-4H3,(H2,16,19)(H,17,18)
InChIKeyWYQBMLLECYVEMY-UHFFFAOYSA-N
XLogP1.63
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(N-hydroxy-C-methylcarbonimidoyl)-5-methylphenoxy]-N-(3-methylbutan-2-yl)acetamide
CID 77003672
2-[2-(1-hydroxyethyl)-5-methylphenoxy]-N-(3-methylbutan-2-yl)acetamide
CID 63651171
N-(3-methylbutan-2-yl)-2-[5-methyl-2-[1-(methylamino)ethyl]phenoxy]acetamide
CID 63638956
2-[2-(hydroxymethyl)-4-methylphenoxy]-N-(3-methylbutan-2-yl)acetamide
CID 55206471
N-(3-methylbutan-2-yl)-2-(4-methyl-2-sulfamoylphenoxy)acetamide
CID 82914156
4-amino-2-[2-(3-methylbutan-2-ylamino)-2-oxoethoxy]benzoic acid
CID 106954921
4-methyl-2-[2-(2-methylbutan-2-ylamino)-2-oxoethoxy]benzamide
CID 36578757
4-methyl-2-[2-[[(4-methylphenyl)-thiophen-2-ylmethyl]amino]-2-oxoethoxy]benzamide
CID 24585387
2-(2-carbamothioylphenoxy)-N-(3-methylbutan-2-yl)acetamide
CID 43131454
2-[2-(2-fluoro-4-methylanilino)-2-oxoethoxy]-4-methylbenzamide
CID 24585355
2-(2-acetyl-5-methylphenoxy)-N-butan-2-ylacetamide
CID 60701053
2-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]-5-methylphenoxy]-N-propan-2-ylacetamide
CID 55245922

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[2-(3-methylbutan-2-ylamino)-2-oxoethoxy]benzamide?
The IUPAC name of 4-methyl-2-[2-(3-methylbutan-2-ylamino)-2-oxoethoxy]benzamide (CID 46681501) is 4-methyl-2-[2-(3-methylbutan-2-ylamino)-2-oxoethoxy]benzamide.
What is the SMILES notation for 4-methyl-2-[2-(3-methylbutan-2-ylamino)-2-oxoethoxy]benzamide?
The canonical SMILES for 4-methyl-2-[2-(3-methylbutan-2-ylamino)-2-oxoethoxy]benzamide is Cc1ccc(C(N)=O)c(OCC(=O)NC(C)C(C)C)c1.
What is the InChIKey of 4-methyl-2-[2-(3-methylbutan-2-ylamino)-2-oxoethoxy]benzamide?
The InChIKey is WYQBMLLECYVEMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-9(2)11(4)17-14(18)8-20-13-7-10(3)5-6-12(13)15(16)19/h5-7,9,11H,8H2,1-4H3,(H2,16,19)(H,17,18).
What are the key properties of 4-methyl-2-[2-(3-methylbutan-2-ylamino)-2-oxoethoxy]benzamide?
4-methyl-2-[2-(3-methylbutan-2-ylamino)-2-oxoethoxy]benzamide has a molecular weight of 278.35 g/mol, XLogP of 1.63, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[2-(3-methylbutan-2-ylamino)-2-oxoethoxy]benzamide is sourced from PubChem (CID 46681501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).