Basic information
- CAS
26844-08-6- Standard SMILES
O=C(NC1=CCN(CCc2c[nH]c3ccccc23)CC1)OCc1ccccc1- InChIKey
XWOKEKXIYQRKRR-UHFFFAOYSA-N- Molecular formula
- C23H25N3O2
- Average molar mass
- 375.5 g/mol
- Monoisotopic mass
- 375.19467705
Names & identifiers
- Preferred name
- Carbamic acid, (1,2,3,6-tetrahydro-1-(2-(1H-indol-3-yl)ethyl)-4-pyridinyl)-, phenylmethyl ester
- IUPAC
- benzyl N-[1-[2-(1H-indol-3-yl)ethyl]-3,6-dihydro-2H-pyridin-4-yl]carbamate
Names & synonyms
Carbamic acid, (1,2,3,6-tetrahydro-1-(2-(1H-indol-3-yl)ethyl)-4-pyridinyl)-, phenylmethyl ester26844-08-6BRN 0501854(1,2,3,6-Tetrahydro-1-(2-(1H-indol-3-yl)ethyl)-4-pyridinyl)carbamic acid phenylmethyl esterDTXSID70181335Benzyl {1-[2-(1H-indol-3-yl)ethyl]-1,2,3,6-tetrahydropyridin-4-yl}carbamate
Database identifiers
- CAS
26844-08-6- PubChem CID
- 213616
- DTXSID
DTXSID70181335
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 57.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 544
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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