2-dimethylaminoethyl N-(2-heptoxyphenyl)carbamate
Basic information
- CAS
86817-96-1- Standard SMILES
CCCCCCCOc1ccccc1NC(=O)OCCN(C)C- InChIKey
HDKMVHPKLSTOBD-UHFFFAOYSA-N- Molecular formula
- C18H30N2O3
- Average molar mass
- 322.4 g/mol
- Monoisotopic mass
- 322.22564282
Names & identifiers
- Preferred name
- 2-dimethylaminoethyl N-(2-heptoxyphenyl)carbamate
- IUPAC
- 2-(dimethylamino)ethyl N-(2-heptoxyphenyl)carbamate
Names & synonyms
2-dimethylaminoethyl N-(2-heptoxyphenyl)carbamate86817-96-1DTXSID402755582-(dimethylamino)ethyl [2-(heptyloxy)phenyl]carbamate
Database identifiers
- CAS
86817-96-1- PubChem CID
- 50065
- DTXSID
DTXSID40275558
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 50.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 12
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 311
Experimental & physicochemical properties
LogP2.5
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Compound notes
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