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

C19H21NO6 — CID 119231676

IUPAC2-[4-[[2-(3,4-dimethoxyphenyl)acetyl]amino]-3-methylphenoxy]acetic acid
SMILESCOc1ccc(CC(=O)Nc2ccc(OCC(=O)O)cc2C)cc1OC
InChIInChI=1S/C19H21NO6/c1-12-8-14(26-11-19(22)23)5-6-15(12)20-18(21)10-13-4-7-16(24-2)17(9-13)25-3/h4-9H,10-11H2,1-3H3,(H,20,21)(H,22,23)
InChIKeyJQBNSVQJVYMDSX-UHFFFAOYSA-N
MW359.38 g/mol
LogP2.66
Rot. Bonds8

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

2-[4-[[2-(3,4-dimethoxyphenyl)acetyl]amino]-3-methylphenoxy]acetic acid (PubChem CID 119231676) has the molecular formula C19H21NO6 and a molecular weight of 359.38 g/mol. Its IUPAC name is 2-[4-[[2-(3,4-dimethoxyphenyl)acetyl]amino]-3-methylphenoxy]acetic acid.

Molecular Properties

Compound Name2-[4-[[2-(3,4-dimethoxyphenyl)acetyl]amino]-3-methylphenoxy]acetic acid
PubChem CID119231676
Molecular FormulaC19H21NO6
Molecular Weight359.38 g/mol
Exact Mass359.14
IUPAC Name2-[4-[[2-(3,4-dimethoxyphenyl)acetyl]amino]-3-methylphenoxy]acetic acid
SMILESCOc1ccc(CC(=O)Nc2ccc(OCC(=O)O)cc2C)cc1OC
InChIInChI=1S/C19H21NO6/c1-12-8-14(26-11-19(22)23)5-6-15(12)20-18(21)10-13-4-7-16(24-2)17(9-13)25-3/h4-9H,10-11H2,1-3H3,(H,20,21)(H,22,23)
InChIKeyJQBNSVQJVYMDSX-UHFFFAOYSA-N
XLogP2.66
TPSA94.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.38
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[4-[[2-(3,4-dimethoxyphenyl)acetyl]amino]-3-methylphenoxy]acetic acid with MolForge

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Related Compounds

2-[4-[[2-(4-ethylsulfonylphenyl)acetyl]amino]-3-methylphenoxy]acetic acid
CID 119231412
2-(3,4-dimethoxyphenyl)-N-(2-methylphenyl)acetamide
CID 835508
2-[4-(butanoylamino)-3-methylphenoxy]acetic acid
CID 119231512
2-[3-methyl-4-(3-methylbutanoylamino)phenoxy]acetic acid
CID 119231825
2-[4-[[2-(2-ethylphenoxy)acetyl]amino]-3-methylphenoxy]acetic acid
CID 119231680
2-[4-[[2-(4-iodophenoxy)acetyl]amino]-3-methylphenoxy]acetic acid
CID 17342102
3-(3,4-dimethoxyphenyl)-N-(2-methyl-4-pyrimidin-2-yloxyphenyl)propanamide
CID 48666767
2-[4-[[2-(2,5-dimethylphenoxy)acetyl]amino]-3-methylphenoxy]acetic acid
CID 119231516
N-(4-methoxy-2-methylphenyl)-2-(4-methylphenyl)acetamide
CID 17087411
2-[4-[3-(4-methoxyphenyl)sulfanylpropanoylamino]-3-methylphenoxy]acetic acid
CID 119231456
2-[4-[[5-(4-methoxyphenyl)-5-oxopentanoyl]amino]-3-methylphenoxy]acetic acid
CID 120687330
2-[3-methyl-4-[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]phenoxy]acetic acid
CID 119231451

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[2-(3,4-dimethoxyphenyl)acetyl]amino]-3-methylphenoxy]acetic acid?
The IUPAC name of 2-[4-[[2-(3,4-dimethoxyphenyl)acetyl]amino]-3-methylphenoxy]acetic acid (CID 119231676) is 2-[4-[[2-(3,4-dimethoxyphenyl)acetyl]amino]-3-methylphenoxy]acetic acid.
What is the SMILES notation for 2-[4-[[2-(3,4-dimethoxyphenyl)acetyl]amino]-3-methylphenoxy]acetic acid?
The canonical SMILES for 2-[4-[[2-(3,4-dimethoxyphenyl)acetyl]amino]-3-methylphenoxy]acetic acid is COc1ccc(CC(=O)Nc2ccc(OCC(=O)O)cc2C)cc1OC.
What is the InChIKey of 2-[4-[[2-(3,4-dimethoxyphenyl)acetyl]amino]-3-methylphenoxy]acetic acid?
The InChIKey is JQBNSVQJVYMDSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO6/c1-12-8-14(26-11-19(22)23)5-6-15(12)20-18(21)10-13-4-7-16(24-2)17(9-13)25-3/h4-9H,10-11H2,1-3H3,(H,20,21)(H,22,23).
What are the key properties of 2-[4-[[2-(3,4-dimethoxyphenyl)acetyl]amino]-3-methylphenoxy]acetic acid?
2-[4-[[2-(3,4-dimethoxyphenyl)acetyl]amino]-3-methylphenoxy]acetic acid has a molecular weight of 359.38 g/mol, XLogP of 2.66, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[2-(3,4-dimethoxyphenyl)acetyl]amino]-3-methylphenoxy]acetic acid is sourced from PubChem (CID 119231676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).