3-({[4-(2-Methylbutan-2-yl)phenoxy]acetyl}amino)benzoic acid

HCID 839545

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Basic information

CAS: 649773-66-0
Standard SMILES: CCC(C)(C)c1ccc(OCC(=O)Nc2cccc(C(=O)O)c2)cc1
InChIKey: NZJKSMWOYLWTRB-UHFFFAOYSA-N
Molecular formula: C20H23NO4
Average molar mass: 341.4 g/mol
Monoisotopic mass: 341.16270821

Names & identifiers

Preferred name: 3-({[4-(2-Methylbutan-2-yl)phenoxy]acetyl}amino)benzoic acid
IUPAC: 3-[[2-[4-(2-methylbutan-2-yl)phenoxy]acetyl]amino]benzoic acid

Names & synonyms

649773-66-03-({[4-(2-methylbutan-2-yl)phenoxy]acetyl}amino)benzoic acidAN-979/41972054Benzoic acid, 3-[[[4-(1,1-dimethylpropyl)phenoxy]acetyl]amino]-3-({[4-(1,1-dimethylpropyl)phenoxy]acetyl}amino)benzoic acid3-[[2-[4-(2-methylbutan-2-yl)phenoxy]acetyl]amino]benzoic acidSCHEMBL2957387SCHEMBL31303632DTXSID10356989STK276558AKOS005360556NCGC00330302-01

Show more names

DA-03972AB01324923-02SR-01000282841SR-01000282841-13-{[(4-tert-pentylphenoxy)acetyl]amino}benzoic acid3-{2-[4-(2-METHYLBUTAN-2-YL)PHENOXY]ACETAMIDO}BENZOIC ACID

Database identifiers

CAS: 649773-66-0
PubChem CID: 839545
DTXSID: DTXSID10356989

Properties

Computed structural properties

XLogP: 4.5
Topological polar surface area: 75.6 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 4
Rotatable bonds: 7
Heavy atoms: 25
Formal charge: 0
Complexity: 455

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