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

C15H21NO4 — CID 60703784

IUPAC4-methyl-3-[2-(2-methylbutan-2-ylamino)-2-oxoethoxy]benzoic acid
SMILESCCC(C)(C)NC(=O)COc1cc(C(=O)O)ccc1C
InChIInChI=1S/C15H21NO4/c1-5-15(3,4)16-13(17)9-20-12-8-11(14(18)19)7-6-10(12)2/h6-8H,5,9H2,1-4H3,(H,16,17)(H,18,19)
InChIKeyGFYGTEWXJSUTMH-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.38
Rot. Bonds6

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

4-methyl-3-[2-(2-methylbutan-2-ylamino)-2-oxoethoxy]benzoic acid (PubChem CID 60703784) has the molecular formula C15H21NO4 and a molecular weight of 279.34 g/mol. Its IUPAC name is 4-methyl-3-[2-(2-methylbutan-2-ylamino)-2-oxoethoxy]benzoic acid.

Molecular Properties

Compound Name4-methyl-3-[2-(2-methylbutan-2-ylamino)-2-oxoethoxy]benzoic acid
PubChem CID60703784
Molecular FormulaC15H21NO4
Molecular Weight279.34 g/mol
Exact Mass279.15
IUPAC Name4-methyl-3-[2-(2-methylbutan-2-ylamino)-2-oxoethoxy]benzoic acid
SMILESCCC(C)(C)NC(=O)COc1cc(C(=O)O)ccc1C
InChIInChI=1S/C15H21NO4/c1-5-15(3,4)16-13(17)9-20-12-8-11(14(18)19)7-6-10(12)2/h6-8H,5,9H2,1-4H3,(H,16,17)(H,18,19)
InChIKeyGFYGTEWXJSUTMH-UHFFFAOYSA-N
XLogP2.38
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-carbamothioyl-2-methylphenoxy)-N-(2-methylbutan-2-yl)acetamide
CID 107656260
2-(5-bromo-2-methylphenoxy)-N-(2-methylbutan-2-yl)acetamide
CID 107284240
3-[2-(2-acetylhydrazinyl)-2-oxoethoxy]-4-methylbenzoic acid
CID 60702563
4-methyl-3-[2-oxo-2-(pentan-3-ylamino)ethoxy]benzoic acid
CID 45311911
3-[2-(methoxycarbonylamino)-2-oxoethoxy]-4-methylbenzoic acid
CID 60702407
5-methoxy-2-[2-(2-methylbutan-2-ylamino)-2-oxoethoxy]benzoic acid
CID 60693177
2-[2-(2-methylbutan-2-ylamino)-2-oxoethoxy]benzoic acid
CID 43214922
4-methyl-3-[2-oxo-2-(propylcarbamoylamino)ethoxy]benzoic acid
CID 60698853
2-(2-chloro-5-methylphenoxy)-N-(2-methylbutan-2-yl)acetamide
CID 78770055
2-(4-bromo-2-cyanophenoxy)-N-(2-methylbutan-2-yl)acetamide
CID 80604720
2-(2-bromo-4-methoxyphenoxy)-N-(2-methylbutan-2-yl)acetamide
CID 104704642
3-methyl-4-[2-(2-methylbutan-2-ylamino)-2-oxoethoxy]benzenesulfonyl chloride
CID 82911316

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-[2-(2-methylbutan-2-ylamino)-2-oxoethoxy]benzoic acid?
The IUPAC name of 4-methyl-3-[2-(2-methylbutan-2-ylamino)-2-oxoethoxy]benzoic acid (CID 60703784) is 4-methyl-3-[2-(2-methylbutan-2-ylamino)-2-oxoethoxy]benzoic acid.
What is the SMILES notation for 4-methyl-3-[2-(2-methylbutan-2-ylamino)-2-oxoethoxy]benzoic acid?
The canonical SMILES for 4-methyl-3-[2-(2-methylbutan-2-ylamino)-2-oxoethoxy]benzoic acid is CCC(C)(C)NC(=O)COc1cc(C(=O)O)ccc1C.
What is the InChIKey of 4-methyl-3-[2-(2-methylbutan-2-ylamino)-2-oxoethoxy]benzoic acid?
The InChIKey is GFYGTEWXJSUTMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4/c1-5-15(3,4)16-13(17)9-20-12-8-11(14(18)19)7-6-10(12)2/h6-8H,5,9H2,1-4H3,(H,16,17)(H,18,19).
What are the key properties of 4-methyl-3-[2-(2-methylbutan-2-ylamino)-2-oxoethoxy]benzoic acid?
4-methyl-3-[2-(2-methylbutan-2-ylamino)-2-oxoethoxy]benzoic acid has a molecular weight of 279.34 g/mol, XLogP of 2.38, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-[2-(2-methylbutan-2-ylamino)-2-oxoethoxy]benzoic acid is sourced from PubChem (CID 60703784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).