3-[[2-(4-methylphenoxy)acetyl]amino]-4-propan-2-yloxybenzoic acid

C19H21NO5 — CID 119196498

IUPAC3-[[2-(4-methylphenoxy)acetyl]amino]-4-propan-2-yloxybenzoic acid
SMILESCc1ccc(OCC(=O)Nc2cc(C(=O)O)ccc2OC(C)C)cc1
InChIInChI=1S/C19H21NO5/c1-12(2)25-17-9-6-14(19(22)23)10-16(17)20-18(21)11-24-15-7-4-13(3)5-8-15/h4-10,12H,11H2,1-3H3,(H,20,21)(H,22,23)
InChIKeyFSYVQLXDLLYJLA-UHFFFAOYSA-N
MW343.38 g/mol
LogP3.50
Rot. Bonds7

About 3-[[2-(4-methylphenoxy)acetyl]amino]-4-propan-2-yloxybenzoic acid

3-[[2-(4-methylphenoxy)acetyl]amino]-4-propan-2-yloxybenzoic acid (PubChem CID 119196498) has the molecular formula C19H21NO5 and a molecular weight of 343.38 g/mol. Its IUPAC name is 3-[[2-(4-methylphenoxy)acetyl]amino]-4-propan-2-yloxybenzoic acid.

Molecular Properties

Compound Name3-[[2-(4-methylphenoxy)acetyl]amino]-4-propan-2-yloxybenzoic acid
PubChem CID119196498
Molecular FormulaC19H21NO5
Molecular Weight343.38 g/mol
Exact Mass343.14
IUPAC Name3-[[2-(4-methylphenoxy)acetyl]amino]-4-propan-2-yloxybenzoic acid
SMILESCc1ccc(OCC(=O)Nc2cc(C(=O)O)ccc2OC(C)C)cc1
InChIInChI=1S/C19H21NO5/c1-12(2)25-17-9-6-14(19(22)23)10-16(17)20-18(21)11-24-15-7-4-13(3)5-8-15/h4-10,12H,11H2,1-3H3,(H,20,21)(H,22,23)
InChIKeyFSYVQLXDLLYJLA-UHFFFAOYSA-N
XLogP3.50
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 ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[3-acetamido-3-(4-methylphenyl)propanoyl]amino]-4-propan-2-yloxybenzoic acid
CID 119196515
3-[[4-(4-methoxyphenyl)-4-oxobutanoyl]amino]-4-propan-2-yloxybenzoic acid
CID 120686170
3-[[2-(2,6-dimethylphenyl)acetyl]amino]-4-propan-2-yloxybenzoic acid
CID 120686173
4-[2-(2,4-dimethylanilino)-2-oxoethoxy]benzoic acid
CID 4026014
3-[[2-(2,4-dimethylphenoxy)acetyl]amino]-4-methoxybenzoic acid
CID 28675994
3-[(4-oxo-4-phenylbutanoyl)amino]-4-propan-2-yloxybenzoic acid
CID 119196561
4-methyl-3-[(2-phenoxyacetyl)amino]benzoic acid
CID 18070473
3-[[2-(3,5-dimethylphenoxy)acetyl]amino]-4-methylbenzoic acid
CID 41177576
4-methyl-2-[[2-(4-methylphenoxy)acetyl]amino]benzoic acid
CID 100977124
3-[[2-(3-methylbutylsulfanyl)acetyl]amino]-4-propan-2-yloxybenzoic acid
CID 119196463
3-[3-(4-methylpentan-2-yloxy)propanoylamino]-4-propan-2-yloxybenzoic acid
CID 119196415
3-[[2-(4-formylphenoxy)acetyl]amino]-4-methylbenzoic acid
CID 39164319

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(4-methylphenoxy)acetyl]amino]-4-propan-2-yloxybenzoic acid?
The IUPAC name of 3-[[2-(4-methylphenoxy)acetyl]amino]-4-propan-2-yloxybenzoic acid (CID 119196498) is 3-[[2-(4-methylphenoxy)acetyl]amino]-4-propan-2-yloxybenzoic acid.
What is the SMILES notation for 3-[[2-(4-methylphenoxy)acetyl]amino]-4-propan-2-yloxybenzoic acid?
The canonical SMILES for 3-[[2-(4-methylphenoxy)acetyl]amino]-4-propan-2-yloxybenzoic acid is Cc1ccc(OCC(=O)Nc2cc(C(=O)O)ccc2OC(C)C)cc1.
What is the InChIKey of 3-[[2-(4-methylphenoxy)acetyl]amino]-4-propan-2-yloxybenzoic acid?
The InChIKey is FSYVQLXDLLYJLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO5/c1-12(2)25-17-9-6-14(19(22)23)10-16(17)20-18(21)11-24-15-7-4-13(3)5-8-15/h4-10,12H,11H2,1-3H3,(H,20,21)(H,22,23).
What are the key properties of 3-[[2-(4-methylphenoxy)acetyl]amino]-4-propan-2-yloxybenzoic acid?
3-[[2-(4-methylphenoxy)acetyl]amino]-4-propan-2-yloxybenzoic acid has a molecular weight of 343.38 g/mol, XLogP of 3.50, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(4-methylphenoxy)acetyl]amino]-4-propan-2-yloxybenzoic acid is sourced from PubChem (CID 119196498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).