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Chemical ID: 5534241
Chemical ID:
5534241
Name [?]:
4-isopropoxy-N-[3-(2-methylpropanoylamino)phenyl]-benzamide
SMILES [?]:
CC(C)C(=O)Nc1cccc(c1)NC(=O)c2ccc(cc2)OC(C)C
InChi [?]:
InChI=1/C20H24N2O3/c1-13(2)19(23)21-16-6-5-7-17(12-16)22-20(24)15-8-10-18(11-9-15)25-14(3)4/h5-14H,1-4H3,(H,21,23)(H,22,24)
InChi Info:
AuxInfo=1/1/N:1,3,24,25,9,8,10,17,21,18,20,12,2,23,16,7,11,19,4,14,6,13,5,15,22/E:(1,2)(3,4)(8,9)(10,11)/rA:25nCCCCONCCCCCCNCOCCCCCCOCCC/rB:s1;s2;s2;d4;s4;s6;s7;d8;s9;d10;d7s11;s11;s13;d14;s14;s16;d17;s18;d19;d16s20;s19;s22;s23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H24N2O3 |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.4868 |
Area: | 582.753 |
Solvation: | -4.08202 |
Coulombic: | -49.4939 |
Bond Count [?]
All: | 26 |
Single: | 18 |
Double: | 8 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 340.416 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 3.59 |
LogP (Chemaxon): | 4.12 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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