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

C15H22N2O3 — CID 36578757

IUPAC4-methyl-2-[2-(2-methylbutan-2-ylamino)-2-oxoethoxy]benzamide
SMILESCCC(C)(C)NC(=O)COc1cc(C)ccc1C(N)=O
InChIInChI=1S/C15H22N2O3/c1-5-15(3,4)17-13(18)9-20-12-8-10(2)6-7-11(12)14(16)19/h6-8H,5,9H2,1-4H3,(H2,16,19)(H,17,18)
InChIKeyBERWERQIFVOFKU-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.78
Rot. Bonds6

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

4-methyl-2-[2-(2-methylbutan-2-ylamino)-2-oxoethoxy]benzamide (PubChem CID 36578757) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 4-methyl-2-[2-(2-methylbutan-2-ylamino)-2-oxoethoxy]benzamide.

Molecular Properties

Compound Name4-methyl-2-[2-(2-methylbutan-2-ylamino)-2-oxoethoxy]benzamide
PubChem CID36578757
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name4-methyl-2-[2-(2-methylbutan-2-ylamino)-2-oxoethoxy]benzamide
SMILESCCC(C)(C)NC(=O)COc1cc(C)ccc1C(N)=O
InChIInChI=1S/C15H22N2O3/c1-5-15(3,4)17-13(18)9-20-12-8-10(2)6-7-11(12)14(16)19/h6-8H,5,9H2,1-4H3,(H2,16,19)(H,17,18)
InChIKeyBERWERQIFVOFKU-UHFFFAOYSA-N
XLogP1.78
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 ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-chloro-5-methylphenoxy)-N-(2-methylbutan-2-yl)acetamide
CID 78770055
N-(2-methylbutan-2-yl)-2-(4-methylphenoxy)acetamide
CID 50944675
N-(2-methylbutan-2-yl)-2-[5-methyl-2-[1-(methylamino)ethyl]phenoxy]acetamide
CID 63639941
5-methyl-2-[2-(2-methylbutan-2-ylamino)-2-oxoethoxy]benzenesulfonyl chloride
CID 82911896
2-(5-carbamothioyl-2-methylphenoxy)-N-(2-methylbutan-2-yl)acetamide
CID 107656260
[2-(2-methylbutan-2-ylamino)-2-oxoethyl] 2-hydroxy-4-methylbenzoate
CID 8581768
4-methyl-2-[2-(3-methylbutan-2-ylamino)-2-oxoethoxy]benzamide
CID 46681501
2-[2-(2-fluoro-4-methylanilino)-2-oxoethoxy]-4-methylbenzamide
CID 24585355
4-methyl-2-[2-oxo-2-[4-(trifluoromethyl)anilino]ethoxy]benzamide
CID 46681458
2-(5-amino-2-methoxyphenoxy)-N-(2-methylbutan-2-yl)acetamide
CID 61486316
4-methyl-3-[2-(2-methylbutan-2-ylamino)-2-oxoethoxy]benzoic acid
CID 60703784
2-(5-bromo-2-methylphenoxy)-N-(2-methylbutan-2-yl)acetamide
CID 107284240

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[2-(2-methylbutan-2-ylamino)-2-oxoethoxy]benzamide?
The IUPAC name of 4-methyl-2-[2-(2-methylbutan-2-ylamino)-2-oxoethoxy]benzamide (CID 36578757) is 4-methyl-2-[2-(2-methylbutan-2-ylamino)-2-oxoethoxy]benzamide.
What is the SMILES notation for 4-methyl-2-[2-(2-methylbutan-2-ylamino)-2-oxoethoxy]benzamide?
The canonical SMILES for 4-methyl-2-[2-(2-methylbutan-2-ylamino)-2-oxoethoxy]benzamide is CCC(C)(C)NC(=O)COc1cc(C)ccc1C(N)=O.
What is the InChIKey of 4-methyl-2-[2-(2-methylbutan-2-ylamino)-2-oxoethoxy]benzamide?
The InChIKey is BERWERQIFVOFKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-5-15(3,4)17-13(18)9-20-12-8-10(2)6-7-11(12)14(16)19/h6-8H,5,9H2,1-4H3,(H2,16,19)(H,17,18).
What are the key properties of 4-methyl-2-[2-(2-methylbutan-2-ylamino)-2-oxoethoxy]benzamide?
4-methyl-2-[2-(2-methylbutan-2-ylamino)-2-oxoethoxy]benzamide has a molecular weight of 278.35 g/mol, XLogP of 1.78, 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-(2-methylbutan-2-ylamino)-2-oxoethoxy]benzamide is sourced from PubChem (CID 36578757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).