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N-(2,4-Dimethoxyphenyl)-3-(4-methoxyphenyl)acrylamide

HCID 707176
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Basic information

CAS
292051-77-5
Standard SMILES
COc1ccc(/C=C/C(=O)Nc2ccc(OC)cc2OC)cc1
InChIKey
DVVUFQFZZDTSRN-IZZDOVSWSA-N
Molecular formula
C18H19NO4
Average molar mass
313.3 g/mol
Monoisotopic mass
313.13140809

Names & identifiers

Preferred name
N-(2,4-Dimethoxyphenyl)-3-(4-methoxyphenyl)acrylamide
IUPAC
(E)-N-(2,4-dimethoxyphenyl)-3-(4-methoxyphenyl)prop-2-enamide
English name
N-(2,4-Dimethoxyphenyl)-3-(4-methoxyphenyl)acrylamide
Molecular formula
C18H19NO4
Molecular weight
313.35

Names & synonyms

N-(2,4-DIMETHOXYPHENYL)-3-(4-METHOXYPHENYL)ACRYLAMIDEAKOS001609207BIM-0027626.P001ST50181875SR-01000415914SR-01000415914-1(2E)-N-(2,4-dimethoxyphenyl)-3-(4-methoxyphenyl)prop-2-enamide2-Propenamide, N-(2,4-dimethoxyphenyl)-3-(4-methoxyphenyl)-

Database identifiers

CAS
292051-77-5
PubChem CID
707176
EC Number
168-881-5

Properties

Computed structural properties

XLogP
3.4
Topological polar surface area
56.8 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
6
Heavy atoms
23
Formal charge
0
Complexity
390

Physicochemical properties

Boiling point
542.121 · 542.121±50.00 °C(Press: 760.00 Torr)(predicted)
Density
1.19 · 1.190±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
pka
12.615 · 12.615±0.70(predicted)

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