Benzoic acid, 3,5-dipropyl-4-hydroxy-, ethyl ester, diethylcarbamate (ester)
Basic information
- CAS
100482-29-9- Standard SMILES
CCCc1cc(C(=O)OCC)cc(CCC)c1OC(=O)N(CC)CC- InChIKey
PCNNKDOJZBGEEW-UHFFFAOYSA-N- Molecular formula
- C20H31NO4
- Average molar mass
- 349.5 g/mol
- Monoisotopic mass
- 349.22530847
Names & identifiers
- Preferred name
- Benzoic acid, 3,5-dipropyl-4-hydroxy-, ethyl ester, diethylcarbamate (ester)
- IUPAC
- ethyl 4-(diethylcarbamoyloxy)-3,5-dipropylbenzoate
- English name
- ethyl 4-(diethylcarbamoyloxy)-3,5-dipropyl-benzoate
- Molecular formula
- C20H31NO4
- Molecular weight
- 0
Names & synonyms
100482-29-9Ethyl 4-(diethylcarbamoyloxy)-3,5-dipropylbenzoateBRN 26008673,5-Dipropyl-4-hydroxybenzoic acid ethyl ester diethylcarbamate (ester)BENZOIC ACID, 3,5-DIPROPYL-4-HYDROXY-, ETHYL ESTER, DIETHYLCARBAMATE (ester)DTXSID60143321RefChem:327106DTXCID4065812ethyl 4-[(diethylcarbamoyl)oxy]-3,5-dipropylbenzoateETHYL 4-(DIETHYLCARBAMOYLOXY)-3,5-DIPROPYL-BENZOATEBenzoic acid, 4-[[(diethylamino)carbonyl]oxy]-3,5-dipropyl-, ethyl esterAethyl-4--3.5-dipropyl-benzoat
Database identifiers
- CAS
100482-29-9- PubChem CID
- 57882
- DTXSID
DTXSID60143321- Nikkaji
- J83.387H
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 55.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 11
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 393
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Compound notes
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