2-[3-methyl-4-[[2-(3-propan-2-ylphenoxy)acetyl]amino]phenoxy]acetic acid

C20H23NO5 — CID 119231617

IUPAC2-[3-methyl-4-[[2-(3-propan-2-ylphenoxy)acetyl]amino]phenoxy]acetic acid
SMILESCc1cc(OCC(=O)O)ccc1NC(=O)COc1cccc(C(C)C)c1
InChIInChI=1S/C20H23NO5/c1-13(2)15-5-4-6-16(10-15)25-11-19(22)21-18-8-7-17(9-14(18)3)26-12-20(23)24/h4-10,13H,11-12H2,1-3H3,(H,21,22)(H,23,24)
InChIKeyYNBHEJJGKVRZCJ-UHFFFAOYSA-N
MW357.41 g/mol
LogP3.60
Rot. Bonds8

About 2-[3-methyl-4-[[2-(3-propan-2-ylphenoxy)acetyl]amino]phenoxy]acetic acid

2-[3-methyl-4-[[2-(3-propan-2-ylphenoxy)acetyl]amino]phenoxy]acetic acid (PubChem CID 119231617) has the molecular formula C20H23NO5 and a molecular weight of 357.41 g/mol. Its IUPAC name is 2-[3-methyl-4-[[2-(3-propan-2-ylphenoxy)acetyl]amino]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[3-methyl-4-[[2-(3-propan-2-ylphenoxy)acetyl]amino]phenoxy]acetic acid
PubChem CID119231617
Molecular FormulaC20H23NO5
Molecular Weight357.41 g/mol
Exact Mass357.16
IUPAC Name2-[3-methyl-4-[[2-(3-propan-2-ylphenoxy)acetyl]amino]phenoxy]acetic acid
SMILESCc1cc(OCC(=O)O)ccc1NC(=O)COc1cccc(C(C)C)c1
InChIInChI=1S/C20H23NO5/c1-13(2)15-5-4-6-16(10-15)25-11-19(22)21-18-8-7-17(9-14(18)3)26-12-20(23)24/h4-10,13H,11-12H2,1-3H3,(H,21,22)(H,23,24)
InChIKeyYNBHEJJGKVRZCJ-UHFFFAOYSA-N
XLogP3.60
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[3-methyl-4-[[2-(3-propan-2-ylphenoxy)acetyl]amino]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

2-[3-methyl-4-(3-methylbutanoylamino)phenoxy]acetic acid
CID 119231825
2-[4-[[2-(4-iodophenoxy)acetyl]amino]-3-methylphenoxy]acetic acid
CID 17342102
N-(5-amino-2-methylphenyl)-2-(3-propan-2-ylphenoxy)acetamide
CID 16782919
2-[4-[[2-(2-ethylphenoxy)acetyl]amino]-3-methylphenoxy]acetic acid
CID 119231680
2-[4-(butanoylamino)-3-methylphenoxy]acetic acid
CID 119231512
N-(2-methyl-6-propan-2-ylphenyl)-2-(3-propan-2-ylphenoxy)acetamide
CID 19175939
2-[4-[[2-(2,5-dimethylphenoxy)acetyl]amino]-3-methylphenoxy]acetic acid
CID 119231516
2-[3-methyl-4-[2-(3-methylphenoxy)propanoylamino]phenoxy]acetic acid
CID 17342101
N-(2-methyl-5-nitrophenyl)-2-(3-propan-2-ylphenoxy)acetamide
CID 19176000
2-[4-[[2-(2-tert-butylphenoxy)acetyl]amino]-3-methylphenoxy]acetic acid
CID 119231848
N-[2-(4-methylanilino)phenyl]-2-(3-propan-2-ylphenoxy)acetamide
CID 108745039
2-[4-[4-(3-acetylphenoxy)butanoylamino]-3-methylphenoxy]acetic acid
CID 119231587

Frequently Asked Questions

What is the IUPAC name of 2-[3-methyl-4-[[2-(3-propan-2-ylphenoxy)acetyl]amino]phenoxy]acetic acid?
The IUPAC name of 2-[3-methyl-4-[[2-(3-propan-2-ylphenoxy)acetyl]amino]phenoxy]acetic acid (CID 119231617) is 2-[3-methyl-4-[[2-(3-propan-2-ylphenoxy)acetyl]amino]phenoxy]acetic acid.
What is the SMILES notation for 2-[3-methyl-4-[[2-(3-propan-2-ylphenoxy)acetyl]amino]phenoxy]acetic acid?
The canonical SMILES for 2-[3-methyl-4-[[2-(3-propan-2-ylphenoxy)acetyl]amino]phenoxy]acetic acid is Cc1cc(OCC(=O)O)ccc1NC(=O)COc1cccc(C(C)C)c1.
What is the InChIKey of 2-[3-methyl-4-[[2-(3-propan-2-ylphenoxy)acetyl]amino]phenoxy]acetic acid?
The InChIKey is YNBHEJJGKVRZCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO5/c1-13(2)15-5-4-6-16(10-15)25-11-19(22)21-18-8-7-17(9-14(18)3)26-12-20(23)24/h4-10,13H,11-12H2,1-3H3,(H,21,22)(H,23,24).
What are the key properties of 2-[3-methyl-4-[[2-(3-propan-2-ylphenoxy)acetyl]amino]phenoxy]acetic acid?
2-[3-methyl-4-[[2-(3-propan-2-ylphenoxy)acetyl]amino]phenoxy]acetic acid has a molecular weight of 357.41 g/mol, XLogP of 3.60, 8 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-propan-2-ylphenoxy)acetyl]amino]phenoxy]acetic acid is sourced from PubChem (CID 119231617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).