2-[3-[[[2-(2,5-dimethylphenoxy)acetyl]amino]methyl]phenoxy]acetic acid

C19H21NO5 — CID 119246591

IUPAC2-[3-[[[2-(2,5-dimethylphenoxy)acetyl]amino]methyl]phenoxy]acetic acid
SMILESCc1ccc(C)c(OCC(=O)NCc2cccc(OCC(=O)O)c2)c1
InChIInChI=1S/C19H21NO5/c1-13-6-7-14(2)17(8-13)25-11-18(21)20-10-15-4-3-5-16(9-15)24-12-19(22)23/h3-9H,10-12H2,1-2H3,(H,20,21)(H,22,23)
InChIKeyWHHOJAHCLLUXJE-UHFFFAOYSA-N
MW343.38 g/mol
LogP2.46
Rot. Bonds8

About 2-[3-[[[2-(2,5-dimethylphenoxy)acetyl]amino]methyl]phenoxy]acetic acid

2-[3-[[[2-(2,5-dimethylphenoxy)acetyl]amino]methyl]phenoxy]acetic acid (PubChem CID 119246591) has the molecular formula C19H21NO5 and a molecular weight of 343.38 g/mol. Its IUPAC name is 2-[3-[[[2-(2,5-dimethylphenoxy)acetyl]amino]methyl]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[3-[[[2-(2,5-dimethylphenoxy)acetyl]amino]methyl]phenoxy]acetic acid
PubChem CID119246591
Molecular FormulaC19H21NO5
Molecular Weight343.38 g/mol
Exact Mass343.14
IUPAC Name2-[3-[[[2-(2,5-dimethylphenoxy)acetyl]amino]methyl]phenoxy]acetic acid
SMILESCc1ccc(C)c(OCC(=O)NCc2cccc(OCC(=O)O)c2)c1
InChIInChI=1S/C19H21NO5/c1-13-6-7-14(2)17(8-13)25-11-18(21)20-10-15-4-3-5-16(9-15)24-12-19(22)23/h3-9H,10-12H2,1-2H3,(H,20,21)(H,22,23)
InChIKeyWHHOJAHCLLUXJE-UHFFFAOYSA-N
XLogP2.46
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,5-dimethylphenoxy)-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 112977879
2-[3-[[3-(3,5-dimethylphenyl)propanoylamino]methyl]phenoxy]acetic acid
CID 120527410
2-cyano-N-[[3-[2-(2,5-dimethylphenoxy)ethoxy]phenyl]methyl]acetamide
CID 20984627
2-(2,3-dimethylphenoxy)-N-[(3-methoxyphenyl)methyl]acetamide
CID 8921514
2-[4-[[2-(2,5-dimethylphenoxy)acetyl]amino]-3-methylphenoxy]acetic acid
CID 119231516
2-[3-[[2-(5-methyl-2-propan-2-ylphenoxy)propanoylamino]methyl]phenoxy]acetic acid
CID 119246396
2-(2,6-dimethylphenoxy)-N-[(3-methoxyphenyl)methyl]acetamide
CID 9495693
N-benzyl-2-(5-fluoro-2-methylphenoxy)acetamide
CID 102975403
3-[[[2-(3-methylphenoxy)acetyl]amino]methyl]benzamide
CID 32636546
N'-[2-(2,5-dimethylphenoxy)acetyl]-2-(3-propan-2-ylphenoxy)acetohydrazide
CID 55638715
2-(2,6-dimethylphenoxy)-N-[(3-methylphenyl)methyl]acetamide
CID 38294910
2-[3-[[(2-propan-2-ylsulfonylacetyl)amino]methyl]phenoxy]acetic acid
CID 119246757

Frequently Asked Questions

What is the IUPAC name of 2-[3-[[[2-(2,5-dimethylphenoxy)acetyl]amino]methyl]phenoxy]acetic acid?
The IUPAC name of 2-[3-[[[2-(2,5-dimethylphenoxy)acetyl]amino]methyl]phenoxy]acetic acid (CID 119246591) is 2-[3-[[[2-(2,5-dimethylphenoxy)acetyl]amino]methyl]phenoxy]acetic acid.
What is the SMILES notation for 2-[3-[[[2-(2,5-dimethylphenoxy)acetyl]amino]methyl]phenoxy]acetic acid?
The canonical SMILES for 2-[3-[[[2-(2,5-dimethylphenoxy)acetyl]amino]methyl]phenoxy]acetic acid is Cc1ccc(C)c(OCC(=O)NCc2cccc(OCC(=O)O)c2)c1.
What is the InChIKey of 2-[3-[[[2-(2,5-dimethylphenoxy)acetyl]amino]methyl]phenoxy]acetic acid?
The InChIKey is WHHOJAHCLLUXJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO5/c1-13-6-7-14(2)17(8-13)25-11-18(21)20-10-15-4-3-5-16(9-15)24-12-19(22)23/h3-9H,10-12H2,1-2H3,(H,20,21)(H,22,23).
What are the key properties of 2-[3-[[[2-(2,5-dimethylphenoxy)acetyl]amino]methyl]phenoxy]acetic acid?
2-[3-[[[2-(2,5-dimethylphenoxy)acetyl]amino]methyl]phenoxy]acetic acid has a molecular weight of 343.38 g/mol, XLogP of 2.46, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[[2-(2,5-dimethylphenoxy)acetyl]amino]methyl]phenoxy]acetic acid is sourced from PubChem (CID 119246591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).