Basic information
- CAS
116476-70-1- Standard SMILES
Cc1cccc(NC(=O)CC(=O)Nc2cccc(C)c2)c1- InChIKey
HJYKPTPEJZYMGZ-UHFFFAOYSA-N- Molecular formula
- C17H18N2O2
- Average molar mass
- 282.34 g/mol
- Monoisotopic mass
- 282.13682782
Names & identifiers
- Preferred name
- N~1~,N~3~-bis(3-methylphenyl)malonamide
- IUPAC
- N,N'-bis(3-methylphenyl)propanediamide
- English name
- N1,N3-Bis(3-methylphenyl)malonamide
- Molecular formula
- C17H18N2O2
- Molecular weight
- 282.34
Names & synonyms
116476-70-1N~1~,N~3~-bis(3-methylphenyl)malonamideDTXSID00350456RefChem:366017DTXCID40301523N,N'-bis(3-methylphenyl)propanediamideN1,N3-di-m-tolylmalonamideMFCD00419233N-(3-methylphenyl)-N'-(3-methylphenyl)propane-1,3-diamideOprea1_199160Oprea1_280741MLS001165271
Show more names
AURORA KA-3297TIMTEC-BB SBB006334N1,N3-Bis(3-methylphenyl)malonamideN1,N3-Bis(3-methylphenyl)propanediamidePropanediamide, N1,N3-bis(3-methylphenyl)-
SCHEMBL2014002CHEMBL1814541N,N'-bis(m-tolyl)propanediamideHJYKPTPEJZYMGZ-UHFFFAOYSA-NHMS2857P09N,N'-bis(3-methylphenyl)malonamideN1,N3-di(3-methylphenyl)malonamideSBB006334
Database identifiers
- CAS
116476-70-1- PubChem CID
- 679507
- DTXSID
DTXSID00350456- ChEMBL
CHEMBL1814541
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 58.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 336
Experimental & physicochemical properties
Solubility5.7 [ug/mL] (The mean of the results at pH 7.4)
Physicochemical properties
- solubility
- DMSO; Ethyl Acetate; Methanol
- form
- Solid
- color
- White
Chemistry & industry
Suppliers2 total
艾吉析科技（上海）有限公司17717235263 17717235263 · [email protected]
常州千艾生物科技有限公司051915240519135 13961152745 · [email protected]
Related reactions
1 records
Compound notes
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