5-[2-(butylamino)-2-oxoethoxy]-2-methylbenzoic acid

C14H19NO4 — CID 82165953

IUPAC5-[2-(butylamino)-2-oxoethoxy]-2-methylbenzoic acid
SMILESCCCCNC(=O)COc1ccc(C)c(C(=O)O)c1
InChIInChI=1S/C14H19NO4/c1-3-4-7-15-13(16)9-19-11-6-5-10(2)12(8-11)14(17)18/h5-6,8H,3-4,7,9H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyWWUZYYGSABGZPA-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.99
Rot. Bonds7

About 5-[2-(butylamino)-2-oxoethoxy]-2-methylbenzoic acid

5-[2-(butylamino)-2-oxoethoxy]-2-methylbenzoic acid (PubChem CID 82165953) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is 5-[2-(butylamino)-2-oxoethoxy]-2-methylbenzoic acid.

Molecular Properties

Compound Name5-[2-(butylamino)-2-oxoethoxy]-2-methylbenzoic acid
PubChem CID82165953
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Name5-[2-(butylamino)-2-oxoethoxy]-2-methylbenzoic acid
SMILESCCCCNC(=O)COc1ccc(C)c(C(=O)O)c1
InChIInChI=1S/C14H19NO4/c1-3-4-7-15-13(16)9-19-11-6-5-10(2)12(8-11)14(17)18/h5-6,8H,3-4,7,9H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyWWUZYYGSABGZPA-UHFFFAOYSA-N
XLogP1.99
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-methyl-4-[2-oxo-2-(propylamino)ethoxy]benzoic acid
CID 107671260
4-[2-(butylamino)-2-oxoethoxy]benzoic acid
CID 22645381
2-(4-bromo-3-fluorophenoxy)-N-butylacetamide
CID 63998462
5-hexoxy-2-methylbenzoic acid;hydrochloride
CID 129135578
N-butyl-2-(3-methyl-4-sulfamoylphenoxy)acetamide
CID 82914364
N-butyl-2-(4-propoxyphenoxy)acetamide
CID 112775304
2-(3,4-dimethylphenoxy)-N-[8-[[2-(3,4-dimethylphenoxy)acetyl]amino]octyl]acetamide
CID 17233359
N-butyl-2-(3-ethoxyphenoxy)acetamide
CID 112977682
N-butyl-2-(7-methoxynaphthalen-2-yl)oxyacetamide
CID 7652513
2-amino-5-[2-(3-methoxypropylamino)-2-oxoethoxy]benzoic acid
CID 107077027
N-butyl-2-(3-chlorophenoxy)acetamide
CID 19168596
N-butyl-2-(4-propan-2-ylphenoxy)acetamide
CID 17142930

Frequently Asked Questions

What is the IUPAC name of 5-[2-(butylamino)-2-oxoethoxy]-2-methylbenzoic acid?
The IUPAC name of 5-[2-(butylamino)-2-oxoethoxy]-2-methylbenzoic acid (CID 82165953) is 5-[2-(butylamino)-2-oxoethoxy]-2-methylbenzoic acid.
What is the SMILES notation for 5-[2-(butylamino)-2-oxoethoxy]-2-methylbenzoic acid?
The canonical SMILES for 5-[2-(butylamino)-2-oxoethoxy]-2-methylbenzoic acid is CCCCNC(=O)COc1ccc(C)c(C(=O)O)c1.
What is the InChIKey of 5-[2-(butylamino)-2-oxoethoxy]-2-methylbenzoic acid?
The InChIKey is WWUZYYGSABGZPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-3-4-7-15-13(16)9-19-11-6-5-10(2)12(8-11)14(17)18/h5-6,8H,3-4,7,9H2,1-2H3,(H,15,16)(H,17,18).
What are the key properties of 5-[2-(butylamino)-2-oxoethoxy]-2-methylbenzoic acid?
5-[2-(butylamino)-2-oxoethoxy]-2-methylbenzoic acid has a molecular weight of 265.31 g/mol, XLogP of 1.99, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(butylamino)-2-oxoethoxy]-2-methylbenzoic acid is sourced from PubChem (CID 82165953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).