Basic information
- CAS
331626-98-3- Standard SMILES
Cc1ccc(NC(=O)C(Cc2c[nH]c3ccccc23)NC(=O)Oc2ccccc2)cc1- InChIKey
SEMUCWLHHNXURP-UHFFFAOYSA-N- Molecular formula
- C25H23N3O3
- Average molar mass
- 413.5 g/mol
- Monoisotopic mass
- 413.1739416
Names & identifiers
- Preferred name
- N-(4-methylphenyl)-Nalpha-(phenoxycarbonyl)tryptophanamide
- IUPAC
- phenyl N-[3-(1H-indol-3-yl)-1-(4-methylanilino)-1-oxopropan-2-yl]carbamate
Names & synonyms
N-(4-methylphenyl)-Nalpha-(phenoxycarbonyl)tryptophanamideChemDiv1_010979Oprea1_486788HMS618D01DTXSID101120020STK755192AKOS001713506AKOS022013311331626-98-3ST075586AG-205/36623034SR-01000515381
Show more names
SR-01000515381-13-indol-3-yl-N-(4-methylphenyl)-2-(phenoxycarbonylamino)propanamidephenyl 1-(1H-indol-3-ylmethyl)-2-oxo-2-(4-toluidino)ethylcarbamateCarbamic acid, [1-(1H-indol-3-ylmethyl)-2-[(4-methylphenyl)amino]-2-oxoethyl]-, phenyl ester
Database identifiers
- CAS
331626-98-3- PubChem CID
- 3987571
- DTXSID
DTXSID101120020
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 83.2 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 599
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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