2-[4-[[2-(2-ethylphenoxy)acetyl]amino]-3-methylphenoxy]acetic acid

C19H21NO5 — CID 119231680

IUPAC2-[4-[[2-(2-ethylphenoxy)acetyl]amino]-3-methylphenoxy]acetic acid
SMILESCCc1ccccc1OCC(=O)Nc1ccc(OCC(=O)O)cc1C
InChIInChI=1S/C19H21NO5/c1-3-14-6-4-5-7-17(14)25-11-18(21)20-16-9-8-15(10-13(16)2)24-12-19(22)23/h4-10H,3,11-12H2,1-2H3,(H,20,21)(H,22,23)
InChIKeyDXVVKMRGMJPZFF-UHFFFAOYSA-N
MW343.38 g/mol
LogP3.04
Rot. Bonds8

About 2-[4-[[2-(2-ethylphenoxy)acetyl]amino]-3-methylphenoxy]acetic acid

2-[4-[[2-(2-ethylphenoxy)acetyl]amino]-3-methylphenoxy]acetic acid (PubChem CID 119231680) has the molecular formula C19H21NO5 and a molecular weight of 343.38 g/mol. Its IUPAC name is 2-[4-[[2-(2-ethylphenoxy)acetyl]amino]-3-methylphenoxy]acetic acid.

Molecular Properties

Compound Name2-[4-[[2-(2-ethylphenoxy)acetyl]amino]-3-methylphenoxy]acetic acid
PubChem CID119231680
Molecular FormulaC19H21NO5
Molecular Weight343.38 g/mol
Exact Mass343.14
IUPAC Name2-[4-[[2-(2-ethylphenoxy)acetyl]amino]-3-methylphenoxy]acetic acid
SMILESCCc1ccccc1OCC(=O)Nc1ccc(OCC(=O)O)cc1C
InChIInChI=1S/C19H21NO5/c1-3-14-6-4-5-7-17(14)25-11-18(21)20-16-9-8-15(10-13(16)2)24-12-19(22)23/h4-10H,3,11-12H2,1-2H3,(H,20,21)(H,22,23)
InChIKeyDXVVKMRGMJPZFF-UHFFFAOYSA-N
XLogP3.04
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 ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[[2-(2-tert-butylphenoxy)acetyl]amino]-3-methylphenoxy]acetic acid
CID 119231848
2-[4-[[2-(2,5-dimethylphenoxy)acetyl]amino]-3-methylphenoxy]acetic acid
CID 119231516
2-[4-[[2-(4-iodophenoxy)acetyl]amino]-3-methylphenoxy]acetic acid
CID 17342102
2-[4-(butanoylamino)-3-methylphenoxy]acetic acid
CID 119231512
2-[3-methyl-4-[[2-(3-propan-2-ylphenoxy)acetyl]amino]phenoxy]acetic acid
CID 119231617
2-[4-[4-(2-chlorophenoxy)butanoylamino]-3-methylphenoxy]acetic acid
CID 119231408
2-[3-methyl-4-[(3-methyl-3-phenylbutanoyl)amino]phenoxy]acetic acid
CID 119231879
2-[3-methyl-4-(3-methylbutanoylamino)phenoxy]acetic acid
CID 119231825
2-[4-[[2-(3,4-dimethoxyphenyl)acetyl]amino]-3-methylphenoxy]acetic acid
CID 119231676
2-[4-[[2-(4-ethylsulfonylphenyl)acetyl]amino]-3-methylphenoxy]acetic acid
CID 119231412
N-(2,6-dimethylphenyl)-2-(2-ethylphenoxy)acetamide
CID 19175719
2-(4-chloro-3-ethylphenoxy)-N-(2-methylphenyl)acetamide
CID 18074792

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[2-(2-ethylphenoxy)acetyl]amino]-3-methylphenoxy]acetic acid?
The IUPAC name of 2-[4-[[2-(2-ethylphenoxy)acetyl]amino]-3-methylphenoxy]acetic acid (CID 119231680) is 2-[4-[[2-(2-ethylphenoxy)acetyl]amino]-3-methylphenoxy]acetic acid.
What is the SMILES notation for 2-[4-[[2-(2-ethylphenoxy)acetyl]amino]-3-methylphenoxy]acetic acid?
The canonical SMILES for 2-[4-[[2-(2-ethylphenoxy)acetyl]amino]-3-methylphenoxy]acetic acid is CCc1ccccc1OCC(=O)Nc1ccc(OCC(=O)O)cc1C.
What is the InChIKey of 2-[4-[[2-(2-ethylphenoxy)acetyl]amino]-3-methylphenoxy]acetic acid?
The InChIKey is DXVVKMRGMJPZFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO5/c1-3-14-6-4-5-7-17(14)25-11-18(21)20-16-9-8-15(10-13(16)2)24-12-19(22)23/h4-10H,3,11-12H2,1-2H3,(H,20,21)(H,22,23).
What are the key properties of 2-[4-[[2-(2-ethylphenoxy)acetyl]amino]-3-methylphenoxy]acetic acid?
2-[4-[[2-(2-ethylphenoxy)acetyl]amino]-3-methylphenoxy]acetic acid has a molecular weight of 343.38 g/mol, XLogP of 3.04, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[2-(2-ethylphenoxy)acetyl]amino]-3-methylphenoxy]acetic acid is sourced from PubChem (CID 119231680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).