Basic information
- CAS
63986-56-1- Standard SMILES
CCCCCOc1ccc(NC(=O)OC(C)CN(CC)CC)c(C)c1- InChIKey
WICSKXVFZQMHPD-UHFFFAOYSA-N- Molecular formula
- C20H34N2O3
- Average molar mass
- 350.5 g/mol
- Monoisotopic mass
- 350.25694295
Names & identifiers
- Preferred name
- KL 3731
- IUPAC
- 1-(diethylamino)propan-2-yl N-(2-methyl-4-pentoxyphenyl)carbamate
Names & synonyms
KL 373163986-56-12-Methyl-4-(pentyloxy)carbanilic acid 1-((diethylamino)methyl)ethyl esterCARBANILIC ACID, 2-METHYL-4-(PENTYLOXY)-, 1-((DIETHYLAMINO)METHYL)ETHYL ESTERRefChem:350505DTXSID609817051-(Diethylamino)propan-2-yl [2-methyl-4-(pentyloxy)phenyl]carbamate
Database identifiers
- CAS
63986-56-1- PubChem CID
- 46145
- DTXSID
DTXSID60981705
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 50.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 12
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 361
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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