Basic information
- CAS
63986-41-4- Standard SMILES
CCCCOc1ccc(NC(=O)OCCN(CC)CC)c(C)c1- InChIKey
LBQRDRDPEADZKZ-UHFFFAOYSA-N- Molecular formula
- C18H30N2O3
- Average molar mass
- 322.4 g/mol
- Monoisotopic mass
- 322.22564282
Names & identifiers
- Preferred name
- Carbanilic acid, 4-butoxy-2-methyl-, 2-(diethylamino)ethyl ester
- IUPAC
- 2-(diethylamino)ethyl N-(4-butoxy-2-methylphenyl)carbamate
Names & synonyms
KL 361263986-41-4CARBANILIC ACID, 4-BUTOXY-2-METHYL-, 2-(DIETHYLAMINO)ETHYL ESTER2-(Diethylamino)ethyl 4-butoxy-2-methylcarbanilate4-Butoxy-2-methylcarbanilic acid 2-(diethylamino)ethyl esterDTXSID10213907RefChem:332980DTXCID001363982-(diethylamino)ethyl (4-butoxy-2-methylphenyl)carbamate
Database identifiers
- CAS
63986-41-4- PubChem CID
- 46133
- DTXSID
DTXSID10213907
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 50.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 11
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 321
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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