2-[4-[[2-(2,5-dimethylphenoxy)acetyl]amino]-3-methylphenoxy]acetic acid

C19H21NO5 — CID 119231516

IUPAC2-[4-[[2-(2,5-dimethylphenoxy)acetyl]amino]-3-methylphenoxy]acetic acid
SMILESCc1ccc(C)c(OCC(=O)Nc2ccc(OCC(=O)O)cc2C)c1
InChIInChI=1S/C19H21NO5/c1-12-4-5-13(2)17(8-12)25-10-18(21)20-16-7-6-15(9-14(16)3)24-11-19(22)23/h4-9H,10-11H2,1-3H3,(H,20,21)(H,22,23)
InChIKeyRJMAMIKZCBUFFW-UHFFFAOYSA-N
MW343.38 g/mol
LogP3.09
Rot. Bonds7

About 2-[4-[[2-(2,5-dimethylphenoxy)acetyl]amino]-3-methylphenoxy]acetic acid

2-[4-[[2-(2,5-dimethylphenoxy)acetyl]amino]-3-methylphenoxy]acetic acid (PubChem CID 119231516) has the molecular formula C19H21NO5 and a molecular weight of 343.38 g/mol. Its IUPAC name is 2-[4-[[2-(2,5-dimethylphenoxy)acetyl]amino]-3-methylphenoxy]acetic acid.

Molecular Properties

Compound Name2-[4-[[2-(2,5-dimethylphenoxy)acetyl]amino]-3-methylphenoxy]acetic acid
PubChem CID119231516
Molecular FormulaC19H21NO5
Molecular Weight343.38 g/mol
Exact Mass343.14
IUPAC Name2-[4-[[2-(2,5-dimethylphenoxy)acetyl]amino]-3-methylphenoxy]acetic acid
SMILESCc1ccc(C)c(OCC(=O)Nc2ccc(OCC(=O)O)cc2C)c1
InChIInChI=1S/C19H21NO5/c1-12-4-5-13(2)17(8-12)25-10-18(21)20-16-7-6-15(9-14(16)3)24-11-19(22)23/h4-9H,10-11H2,1-3H3,(H,20,21)(H,22,23)
InChIKeyRJMAMIKZCBUFFW-UHFFFAOYSA-N
XLogP3.09
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[[2-(4-iodophenoxy)acetyl]amino]-3-methylphenoxy]acetic acid
CID 17342102
2-[4-[[2-(2-ethylphenoxy)acetyl]amino]-3-methylphenoxy]acetic acid
CID 119231680
2-[4-[[2-(2-tert-butylphenoxy)acetyl]amino]-3-methylphenoxy]acetic acid
CID 119231848
2-(2,5-dimethylphenoxy)-N-[2-[[2-(2,5-dimethylphenoxy)acetyl]amino]phenyl]acetamide
CID 1012654
2-[4-(butanoylamino)-3-methylphenoxy]acetic acid
CID 119231512
4-[2-(2,4-dimethylanilino)-2-oxoethoxy]benzoic acid
CID 4026014
2-[3-methyl-4-(3-methylbutanoylamino)phenoxy]acetic acid
CID 119231825
N-(2,4-dimethylphenyl)-2-(4-methoxyphenoxy)acetamide
CID 625191
2-[3-methyl-4-[[2-(3-propan-2-ylphenoxy)acetyl]amino]phenoxy]acetic acid
CID 119231617
2-(4-bromophenoxy)-N-(2,4-dimethylphenyl)acetamide
CID 874144
2-(2,5-dimethylphenoxy)-N-(2-methoxy-5-methylphenyl)acetamide
CID 807483
2-[3-[[[2-(2,5-dimethylphenoxy)acetyl]amino]methyl]phenoxy]acetic acid
CID 119246591

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[2-(2,5-dimethylphenoxy)acetyl]amino]-3-methylphenoxy]acetic acid?
The IUPAC name of 2-[4-[[2-(2,5-dimethylphenoxy)acetyl]amino]-3-methylphenoxy]acetic acid (CID 119231516) is 2-[4-[[2-(2,5-dimethylphenoxy)acetyl]amino]-3-methylphenoxy]acetic acid.
What is the SMILES notation for 2-[4-[[2-(2,5-dimethylphenoxy)acetyl]amino]-3-methylphenoxy]acetic acid?
The canonical SMILES for 2-[4-[[2-(2,5-dimethylphenoxy)acetyl]amino]-3-methylphenoxy]acetic acid is Cc1ccc(C)c(OCC(=O)Nc2ccc(OCC(=O)O)cc2C)c1.
What is the InChIKey of 2-[4-[[2-(2,5-dimethylphenoxy)acetyl]amino]-3-methylphenoxy]acetic acid?
The InChIKey is RJMAMIKZCBUFFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO5/c1-12-4-5-13(2)17(8-12)25-10-18(21)20-16-7-6-15(9-14(16)3)24-11-19(22)23/h4-9H,10-11H2,1-3H3,(H,20,21)(H,22,23).
What are the key properties of 2-[4-[[2-(2,5-dimethylphenoxy)acetyl]amino]-3-methylphenoxy]acetic acid?
2-[4-[[2-(2,5-dimethylphenoxy)acetyl]amino]-3-methylphenoxy]acetic acid has a molecular weight of 343.38 g/mol, XLogP of 3.09, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[2-(2,5-dimethylphenoxy)acetyl]amino]-3-methylphenoxy]acetic acid is sourced from PubChem (CID 119231516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).