2-[4-[2-[[2-(2,4,6-trimethylphenyl)acetyl]amino]ethyl]phenoxy]acetic acid

C21H25NO4 — CID 120528979

IUPAC2-[4-[2-[[2-(2,4,6-trimethylphenyl)acetyl]amino]ethyl]phenoxy]acetic acid
SMILESCc1cc(C)c(CC(=O)NCCc2ccc(OCC(=O)O)cc2)c(C)c1
InChIInChI=1S/C21H25NO4/c1-14-10-15(2)19(16(3)11-14)12-20(23)22-9-8-17-4-6-18(7-5-17)26-13-21(24)25/h4-7,10-11H,8-9,12-13H2,1-3H3,(H,22,23)(H,24,25)
InChIKeyZKSNYLGGVSYFAX-UHFFFAOYSA-N
MW355.43 g/mol
LogP2.98
Rot. Bonds8

About 2-[4-[2-[[2-(2,4,6-trimethylphenyl)acetyl]amino]ethyl]phenoxy]acetic acid

2-[4-[2-[[2-(2,4,6-trimethylphenyl)acetyl]amino]ethyl]phenoxy]acetic acid (PubChem CID 120528979) has the molecular formula C21H25NO4 and a molecular weight of 355.43 g/mol. Its IUPAC name is 2-[4-[2-[[2-(2,4,6-trimethylphenyl)acetyl]amino]ethyl]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[4-[2-[[2-(2,4,6-trimethylphenyl)acetyl]amino]ethyl]phenoxy]acetic acid
PubChem CID120528979
Molecular FormulaC21H25NO4
Molecular Weight355.43 g/mol
Exact Mass355.18
IUPAC Name2-[4-[2-[[2-(2,4,6-trimethylphenyl)acetyl]amino]ethyl]phenoxy]acetic acid
SMILESCc1cc(C)c(CC(=O)NCCc2ccc(OCC(=O)O)cc2)c(C)c1
InChIInChI=1S/C21H25NO4/c1-14-10-15(2)19(16(3)11-14)12-20(23)22-9-8-17-4-6-18(7-5-17)26-13-21(24)25/h4-7,10-11H,8-9,12-13H2,1-3H3,(H,22,23)(H,24,25)
InChIKeyZKSNYLGGVSYFAX-UHFFFAOYSA-N
XLogP2.98
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.43
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[2-(3-methoxypropanoylamino)ethyl]phenoxy]acetic acid
CID 119255509
2-[4-[2-[[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]amino]ethyl]phenoxy]acetic acid
CID 119255955
N-[2-(3,4-dihydroxyphenyl)ethyl]-2-(2,4,6-trimethylphenyl)acetamide
CID 122159315
2-[4-[2-[3-(4-methoxyphenyl)propanoylamino]ethyl]phenoxy]acetic acid
CID 119255722
2-[4-[2-(methylamino)ethyl]phenoxy]acetic acid
CID 22961946
2-[4-[2-[[1-(3,5-dimethylphenyl)cyclopropanecarbonyl]amino]ethyl]phenoxy]acetic acid
CID 119255604
2-[4-[2-(3-ethylpentanoylamino)ethyl]phenoxy]acetic acid
CID 120529071
2-[4-[2-[3-(4-chlorophenyl)propanoylamino]ethyl]phenoxy]acetic acid
CID 119255572
2-[4-[2-[(4,5-diethylfuran-2-carbonyl)amino]ethyl]phenoxy]acetic acid
CID 120688153
N-[2-(4-aminophenyl)ethyl]-2-(4-methylphenoxy)acetamide
CID 39384693
N-[2-(4-chlorophenyl)ethyl]-2-(4-methylphenoxy)acetamide
CID 2632440
2-[4-[2-[(1,5-dimethylpyrazole-3-carbonyl)amino]ethyl]phenoxy]acetic acid
CID 119255833

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[[2-(2,4,6-trimethylphenyl)acetyl]amino]ethyl]phenoxy]acetic acid?
The IUPAC name of 2-[4-[2-[[2-(2,4,6-trimethylphenyl)acetyl]amino]ethyl]phenoxy]acetic acid (CID 120528979) is 2-[4-[2-[[2-(2,4,6-trimethylphenyl)acetyl]amino]ethyl]phenoxy]acetic acid.
What is the SMILES notation for 2-[4-[2-[[2-(2,4,6-trimethylphenyl)acetyl]amino]ethyl]phenoxy]acetic acid?
The canonical SMILES for 2-[4-[2-[[2-(2,4,6-trimethylphenyl)acetyl]amino]ethyl]phenoxy]acetic acid is Cc1cc(C)c(CC(=O)NCCc2ccc(OCC(=O)O)cc2)c(C)c1.
What is the InChIKey of 2-[4-[2-[[2-(2,4,6-trimethylphenyl)acetyl]amino]ethyl]phenoxy]acetic acid?
The InChIKey is ZKSNYLGGVSYFAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO4/c1-14-10-15(2)19(16(3)11-14)12-20(23)22-9-8-17-4-6-18(7-5-17)26-13-21(24)25/h4-7,10-11H,8-9,12-13H2,1-3H3,(H,22,23)(H,24,25).
What are the key properties of 2-[4-[2-[[2-(2,4,6-trimethylphenyl)acetyl]amino]ethyl]phenoxy]acetic acid?
2-[4-[2-[[2-(2,4,6-trimethylphenyl)acetyl]amino]ethyl]phenoxy]acetic acid has a molecular weight of 355.43 g/mol, XLogP of 2.98, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[[2-(2,4,6-trimethylphenyl)acetyl]amino]ethyl]phenoxy]acetic acid is sourced from PubChem (CID 120528979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).