5-methoxy-2-[2-(2-methylbutan-2-ylamino)-2-oxoethoxy]benzoic acid

C15H21NO5 — CID 60693177

IUPAC5-methoxy-2-[2-(2-methylbutan-2-ylamino)-2-oxoethoxy]benzoic acid
SMILESCCC(C)(C)NC(=O)COc1ccc(OC)cc1C(=O)O
InChIInChI=1S/C15H21NO5/c1-5-15(2,3)16-13(17)9-21-12-7-6-10(20-4)8-11(12)14(18)19/h6-8H,5,9H2,1-4H3,(H,16,17)(H,18,19)
InChIKeyAUQOSWWJZNNZNC-UHFFFAOYSA-N
MW295.34 g/mol
LogP2.08
Rot. Bonds7

About 5-methoxy-2-[2-(2-methylbutan-2-ylamino)-2-oxoethoxy]benzoic acid

5-methoxy-2-[2-(2-methylbutan-2-ylamino)-2-oxoethoxy]benzoic acid (PubChem CID 60693177) has the molecular formula C15H21NO5 and a molecular weight of 295.34 g/mol. Its IUPAC name is 5-methoxy-2-[2-(2-methylbutan-2-ylamino)-2-oxoethoxy]benzoic acid.

Molecular Properties

Compound Name5-methoxy-2-[2-(2-methylbutan-2-ylamino)-2-oxoethoxy]benzoic acid
PubChem CID60693177
Molecular FormulaC15H21NO5
Molecular Weight295.34 g/mol
Exact Mass295.14
IUPAC Name5-methoxy-2-[2-(2-methylbutan-2-ylamino)-2-oxoethoxy]benzoic acid
SMILESCCC(C)(C)NC(=O)COc1ccc(OC)cc1C(=O)O
InChIInChI=1S/C15H21NO5/c1-5-15(2,3)16-13(17)9-21-12-7-6-10(20-4)8-11(12)14(18)19/h6-8H,5,9H2,1-4H3,(H,16,17)(H,18,19)
InChIKeyAUQOSWWJZNNZNC-UHFFFAOYSA-N
XLogP2.08
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-bromo-4-methoxyphenoxy)-N-(2-methylbutan-2-yl)acetamide
CID 104704642
2-[2-(2-methylbutan-2-ylamino)-2-oxoethoxy]benzoic acid
CID 43214922
2-[2-[(1S)-1-hydroxyethyl]-5-methoxyphenoxy]-N-(2-methylbutan-2-yl)acetamide
CID 82002921
2-[2-[(1R)-1-hydroxyethyl]-5-methoxyphenoxy]-N-(2-methylbutan-2-yl)acetamide
CID 82002849
5-methoxy-2-(3-methoxy-2,2-dimethyl-3-oxopropoxy)benzoic acid
CID 79624210
4-methyl-3-[2-(2-methylbutan-2-ylamino)-2-oxoethoxy]benzoic acid
CID 60703784
5-methoxy-2-[2-oxo-2-(prop-2-enylamino)ethoxy]benzoic acid
CID 45304182
2-(2,3-dichloroprop-2-enoxy)-5-methoxybenzoic acid
CID 79167882
5-methoxy-2-(2-methylidenebutoxy)benzoic acid
CID 66047074
2-(5-amino-2-methoxyphenoxy)-N-(2-methylbutan-2-yl)acetamide
CID 61486316
2-butoxy-5-methoxybenzoic acid
CID 43213162
2-(5-bromo-2-methylphenoxy)-N-(2-methylbutan-2-yl)acetamide
CID 107284240

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-[2-(2-methylbutan-2-ylamino)-2-oxoethoxy]benzoic acid?
The IUPAC name of 5-methoxy-2-[2-(2-methylbutan-2-ylamino)-2-oxoethoxy]benzoic acid (CID 60693177) is 5-methoxy-2-[2-(2-methylbutan-2-ylamino)-2-oxoethoxy]benzoic acid.
What is the SMILES notation for 5-methoxy-2-[2-(2-methylbutan-2-ylamino)-2-oxoethoxy]benzoic acid?
The canonical SMILES for 5-methoxy-2-[2-(2-methylbutan-2-ylamino)-2-oxoethoxy]benzoic acid is CCC(C)(C)NC(=O)COc1ccc(OC)cc1C(=O)O.
What is the InChIKey of 5-methoxy-2-[2-(2-methylbutan-2-ylamino)-2-oxoethoxy]benzoic acid?
The InChIKey is AUQOSWWJZNNZNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO5/c1-5-15(2,3)16-13(17)9-21-12-7-6-10(20-4)8-11(12)14(18)19/h6-8H,5,9H2,1-4H3,(H,16,17)(H,18,19).
What are the key properties of 5-methoxy-2-[2-(2-methylbutan-2-ylamino)-2-oxoethoxy]benzoic acid?
5-methoxy-2-[2-(2-methylbutan-2-ylamino)-2-oxoethoxy]benzoic acid has a molecular weight of 295.34 g/mol, XLogP of 2.08, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-[2-(2-methylbutan-2-ylamino)-2-oxoethoxy]benzoic acid is sourced from PubChem (CID 60693177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).