Basic information
- CAS
6876-68-2- Standard SMILES
Cc1ccc(NC(=O)/C=C/c2ccccc2)cc1- InChIKey
BZTAHBIRTCNRAW-FMIVXFBMSA-N- Molecular formula
- C16H15NO
- Average molar mass
- 237.3 g/mol
- Monoisotopic mass
- 237.1153641
Names & identifiers
- Preferred name
- N-(4-methylphenyl)-3-phenylacrylamide
- IUPAC
- (E)-N-(4-methylphenyl)-3-phenylprop-2-enamide
- English name
- N-(4-methylphenyl)-3-2-propenamide
- Molecular formula
- C16H15NO
- Molecular weight
- 237.3
Names & synonyms
N-(4-methylphenyl)-3-phenylacrylamide134430-88-9N-(p-Tolyl)cinnamamide(2E)-N-(4-methylphenyl)-3-phenylprop-2-enamideMFCD00445047(E)-N-(4-methylphenyl)-3-phenylprop-2-enamideN-P-Tolylcinnamamide6876-68-2CHEMBL23363593-Phenyl-N-(p-tolyl)acrylamidep-CinnamotoluidideNSC401976
Show more names
N-(4-methylphenyl)-3-2-propenamide2-Propenamide, N-(4-methylphenyl)-3-phenyl-
SCHEMBL94824SCHEMBL4137542SMSF0003991BDBM50429758SBB098820STK087921AKOS000487938CB15721
Database identifiers
- CAS
6876-68-2- PubChem CID
- 787183
- ChEMBL
CHEMBL2336359- Nikkaji
- J1.339.976J、J2.967.668B
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 283
Physicochemical properties
- Melting point
- 161 °C · 161 °C(Solv: ethanol (64-17-5))
- Boiling point
- 443.5 · 443.5±38.0 °C(Predicted)
- Density
- 1.142 · 1.142±0.06 g/cm3(Predicted)
- pka
- 13.98 · 13.98±0.70(Predicted)
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers3 total
环生美森医药技术（山东）有限公司0531-88762217 18301471076 · [email protected]
无锡丽恒昇生物医药科技有限公司15250805028 15250805028 · [email protected]
上海奈亦斯生物科技有限公司18321139117 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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