2-[3-methyl-4-[2-(3-methylphenoxy)propanoylamino]phenoxy]acetic acid

C19H21NO5 — CID 17342101

IUPAC2-[3-methyl-4-[2-(3-methylphenoxy)propanoylamino]phenoxy]acetic acid
SMILESCc1cccc(OC(C)C(=O)Nc2ccc(OCC(=O)O)cc2C)c1
InChIInChI=1S/C19H21NO5/c1-12-5-4-6-16(9-12)25-14(3)19(23)20-17-8-7-15(10-13(17)2)24-11-18(21)22/h4-10,14H,11H2,1-3H3,(H,20,23)(H,21,22)
InChIKeyDXLYIMSXPFSEPL-UHFFFAOYSA-N
MW343.38 g/mol
LogP3.17
Rot. Bonds7

About 2-[3-methyl-4-[2-(3-methylphenoxy)propanoylamino]phenoxy]acetic acid

2-[3-methyl-4-[2-(3-methylphenoxy)propanoylamino]phenoxy]acetic acid (PubChem CID 17342101) has the molecular formula C19H21NO5 and a molecular weight of 343.38 g/mol. Its IUPAC name is 2-[3-methyl-4-[2-(3-methylphenoxy)propanoylamino]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[3-methyl-4-[2-(3-methylphenoxy)propanoylamino]phenoxy]acetic acid
PubChem CID17342101
Molecular FormulaC19H21NO5
Molecular Weight343.38 g/mol
Exact Mass343.14
IUPAC Name2-[3-methyl-4-[2-(3-methylphenoxy)propanoylamino]phenoxy]acetic acid
SMILESCc1cccc(OC(C)C(=O)Nc2ccc(OCC(=O)O)cc2C)c1
InChIInChI=1S/C19H21NO5/c1-12-5-4-6-16(9-12)25-14(3)19(23)20-17-8-7-15(10-13(17)2)24-11-18(21)22/h4-10,14H,11H2,1-3H3,(H,20,23)(H,21,22)
InChIKeyDXLYIMSXPFSEPL-UHFFFAOYSA-N
XLogP3.17
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 ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[3-methyl-4-[2-(3-methylphenoxy)propanoylamino]phenoxy]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2,4-dimethylphenyl)-2-(3-methylphenoxy)propanamide
CID 4931062
N-[2-methyl-4-[3-methyl-4-[2-(3-methylphenoxy)propanoylamino]phenyl]phenyl]-2-(3-methylphenoxy)propanamide
CID 4931464
(2S)-N-(4-iodo-2-methylphenyl)-2-(3-methylphenoxy)propanamide
CID 95076832
(2R)-2-(3-methylphenoxy)-N-(2-methylphenyl)propanamide
CID 7028027
2-[4-[2-(2,4-dichlorophenoxy)propanoylamino]-3-methylphenoxy]acetic acid
CID 17358791
2-(3-methylphenoxy)-N-[2-[2-(3-methylphenoxy)propanoylamino]phenyl]propanamide
CID 4211486
2-[3-methyl-4-[[2-(3-propan-2-ylphenoxy)acetyl]amino]phenoxy]acetic acid
CID 119231617
(2R)-N-(2,3-dimethylphenyl)-2-(3-methylphenoxy)propanamide
CID 2640909
N-(2,3-dimethylphenyl)-2-(3-methylphenoxy)propanamide
CID 4931110
(2S)-2-(3,5-dimethylphenoxy)-N-(2,4-dimethylphenyl)propanamide
CID 889131
2-[4-(2,4-dimethylpent-4-enoylamino)-3-methylphenoxy]acetic acid
CID 120687346
(2R)-N-(2-hydroxy-3-methylphenyl)-2-(3-methylphenoxy)propanamide
CID 95788721

Frequently Asked Questions

What is the IUPAC name of 2-[3-methyl-4-[2-(3-methylphenoxy)propanoylamino]phenoxy]acetic acid?
The IUPAC name of 2-[3-methyl-4-[2-(3-methylphenoxy)propanoylamino]phenoxy]acetic acid (CID 17342101) is 2-[3-methyl-4-[2-(3-methylphenoxy)propanoylamino]phenoxy]acetic acid.
What is the SMILES notation for 2-[3-methyl-4-[2-(3-methylphenoxy)propanoylamino]phenoxy]acetic acid?
The canonical SMILES for 2-[3-methyl-4-[2-(3-methylphenoxy)propanoylamino]phenoxy]acetic acid is Cc1cccc(OC(C)C(=O)Nc2ccc(OCC(=O)O)cc2C)c1.
What is the InChIKey of 2-[3-methyl-4-[2-(3-methylphenoxy)propanoylamino]phenoxy]acetic acid?
The InChIKey is DXLYIMSXPFSEPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO5/c1-12-5-4-6-16(9-12)25-14(3)19(23)20-17-8-7-15(10-13(17)2)24-11-18(21)22/h4-10,14H,11H2,1-3H3,(H,20,23)(H,21,22).
What are the key properties of 2-[3-methyl-4-[2-(3-methylphenoxy)propanoylamino]phenoxy]acetic acid?
2-[3-methyl-4-[2-(3-methylphenoxy)propanoylamino]phenoxy]acetic acid has a molecular weight of 343.38 g/mol, XLogP of 3.17, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-methyl-4-[2-(3-methylphenoxy)propanoylamino]phenoxy]acetic acid is sourced from PubChem (CID 17342101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).