Basic information
- CAS
113079-40-6- Standard SMILES
CC(C)c1ccc(C(=O)NCCOc2ccc(C(=O)O)cc2)cc1- InChIKey
ODLDHXPJRGNTPC-UHFFFAOYSA-N- Molecular formula
- C19H21NO4
- Average molar mass
- 327.4 g/mol
- Monoisotopic mass
- 327.14705815
Overview
structure given in first source
Names & identifiers
- Preferred name
- 4-(2-(4-Isopropylbenzamido)ethoxy)benzoic acid
- IUPAC
- 4-[2-[(4-propan-2-ylbenzoyl)amino]ethoxy]benzoic acid
- English name
- 4-(2-(4-isopropylbenzamido)ethoxy)benzoic acid
- Molecular formula
- C19H21NO4
- Molecular weight
- 327.37
Names & synonyms
113079-40-6Pbab acid4-[2-(4-Isopropylbenzamido)ethoxy]benzoic acid4-(2-(4-Isopropylbenzamido)ethoxy)benzoic acidDTXSID90150280RefChem:912056DTXCID5072771NS-14-(2-{[4-(propan-2-yl)phenyl]formamido}ethoxy)benzoic acid4-[2-[(4-propan-2-ylbenzoyl)amino]ethoxy]benzoic acidOCO-1112Benzoic acid,4-[2-[[4-(1-methylethyl)benzoyl]amino]ethoxy]-
Show more names
4-[2-[[4-(1-Methylethyl)benzoyl]amino]ethoxy]benzoic acidBenzoic acid, 4-[2-[[4-(1-methylethyl)benzoyl]amino]ethoxy]-
Benzoic acid, 4-(2-((4-(1-methylethyl)benzoyl)amino)ethoxy)-NS 1CHEMBL4541438SCHEMBL10495017ODLDHXPJRGNTPC-UHFFFAOYSA-NEBC-06874AKOS033112450CS-0259229
Database identifiers
- CAS
113079-40-6- PubChem CID
- 3081027
- DTXSID
DTXSID90150280- ChEMBL
CHEMBL4541438- Nikkaji
- J247.929J
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 75.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 408
Chemistry & industry
Suppliers7 total
武汉尚恩生物技术有限公司17764018385 · [email protected]
青旗(上海)生物技术发展有限公司021-4006560232 4006560232 · [email protected]
北京百普赛斯生物科技股份有限公司13121935750 · [email protected]
武汉佰乐博生物技术有限公司027-65279366 18108604356 · [email protected]
上海晶风生物科技有限公司34661275 17301805756
上海雅吉生物科技有限公司021-34661276 15317085058 · [email protected]
上海雅吉生物科技有限公司021-34661275 15301693058 · [email protected]
Related reactions
4 records
Compound notes
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