Chemical ID: 4348473

CC(=C)c1cccc(c1)C(C)(C)NC(=O)Nc2ccc(cc2)C(=O)N
Chemical ID:
4348473
Name [?]:
4-[[1-(3-isopropenylphenyl)-1-methyl-ethyl]carbamoylamino]benzamide
SMILES [?]:
CC(=C)c1cccc(c1)C(C)(C)NC(=O)Nc2ccc(cc2)C(=O)N
InChi [?]:
InChI=1/C20H23N3O2/c1-13(2)15-6-5-7-16(12-15)20(3,4)23-19(25)22-17-10-8-14(9-11-17)18(21)24/h5-12H,1H2,2-4H3,(H2,21,24)(H2,22,23,25)
InChi Info:
AuxInfo=1/1/N:3,1,11,12,6,5,7,19,21,18,22,9,2,20,4,8,17,23,14,10,25,16,13,24,15/E:(3,4)(8,9)(10,11)/rA:25nCCCCCCCCCCCCNCONCCCCCCCON/rB:s1;d2;s2;s4;d5;s6;d7;d4s8;s8;s10;s10;s10;s13;d14;s14;s16;s17;d18;s19;d20;d17s21;s20;d23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H23N3O2
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:11.3785
Area:570.384
Solvation:-2.88111
Coulombic:-63.2714
Bond Count [?]
All:26
Single:17
Double:9
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:337.416
H-Bond Donors:4
H-Bond Acceptors:5
XLogP:3.44
LogP (Chemaxon):3.07

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