Benzoic acid, 4-(2-(diethylamino)acetamido)-3,5-dimethyl-, propyl ester
Basic information
- CAS
3095-41-8- Standard SMILES
CCCOC(=O)c1cc(C)c(NC(=O)CN(CC)CC)c(C)c1- InChIKey
ZVDFPPXCUNQTEU-UHFFFAOYSA-N- Molecular formula
- C18H28N2O3
- Average molar mass
- 320.4 g/mol
- Monoisotopic mass
- 320.20999276
Names & identifiers
- Preferred name
- Benzoic acid, 4-(2-(diethylamino)acetamido)-3,5-dimethyl-, propyl ester
- IUPAC
- propyl 4-[[2-(diethylamino)acetyl]amino]-3,5-dimethylbenzoate
Names & synonyms
BRN 2393320BENZOIC ACID, 4-(2-(DIETHYLAMINO)ACETAMIDO)-3,5-DIMETHYL-, PROPYL ESTER3095-41-8DTXSID901849244-(2-(Diethylamino)acetamido)-3,5-dimethylbenzoic acid propyl esterRefChem:327406DTXCID30107415propyl 4-[(N,N-diethylglycyl)amino]-3,5-dimethylbenzoate
Database identifiers
- CAS
3095-41-8- PubChem CID
- 18348
- DTXSID
DTXSID90184924
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 58.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 9
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 370
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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