Chemical ID: 5603863

CN(C)c1ccc(cc1)NC(=O)C=Cc2ccc(o2)c3ccccc3
Chemical ID:
5603863
Name [?]:
N-(4-dimethylaminophenyl)-3-(5-phenyl-2-furyl)-prop-2-enamide
SMILES [?]:
CN(C)c1ccc(cc1)NC(=O)C=Cc2ccc(o2)c3ccccc3
InChi [?]:
InChI=1/C21H20N2O2/c1-23(2)18-10-8-17(9-11-18)22-21(24)15-13-19-12-14-20(25-19)16-6-4-3-5-7-16/h3-15H,1-2H3,(H,22,24)
InChi Info:
AuxInfo=1/1/N:1,3,23,22,24,21,25,6,8,5,9,16,14,17,13,20,7,4,15,18,11,10,2,12,19/E:(1,2)(4,5)(6,7)(8,9)(10,11)/rA:25nCNCCCCCCCNCOCCCCCCOCCCCCC/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s7;s10;d11;s11;w13;s14;d15;s16;d17;s15s18;s18;s20;d21;s22;d23;d20s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H20N2O2
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:9.42385
Area:542.027
Solvation:-4.12683
Coulombic:-34.7698
Bond Count [?]
All:27
Single:17
Double:10
Rotors:6
Chiral:1
Rigid Segments:6
Chemical Properties
Molecular Weight:332.396
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.13
LogP (Chemaxon):4.35

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Descriptor Annotations

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