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Chemical ID: 4464731
Chemical ID:
4464731
Name [?]:
4-isopropoxy-N-[3-methoxy-4-(2-methylpropanoylamino)phenyl]-benzamide
SMILES [?]:
CC(C)C(=O)Nc1ccc(cc1OC)NC(=O)c2ccc(cc2)OC(C)C
InChi [?]:
InChI=1/C21H26N2O4/c1-13(2)20(24)23-18-11-8-16(12-19(18)26-5)22-21(25)15-6-9-17(10-7-15)27-14(3)4/h6-14H,1-5H3,(H,22,25)(H,23,24)
InChi Info:
AuxInfo=1/1/N:1,3,26,27,14,19,23,9,20,22,8,11,2,25,18,10,21,7,12,4,16,15,6,5,17,13,24/E:(1,2)(3,4)(6,7)(9,10)/rA:27nCCCCONCCCCCCOCNCOCCCCCCOCCC/rB:s1;s2;s2;d4;s4;s6;s7;d8;s9;d10;d7s11;s12;s13;s10;s15;d16;s16;s18;d19;s20;d21;d18s22;s21;s24;s25;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H26N2O4 |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.3584 |
Area: | 617.623 |
Solvation: | -5.08221 |
Coulombic: | -56.6393 |
Bond Count [?]
All: | 28 |
Single: | 20 |
Double: | 8 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 370.442 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 3.08 |
LogP (Chemaxon): | 3.87 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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